CAS No.72816-87-6,6-Amino-1-benzyl-5-bromouracil Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72816-87-6
Name:	6-Amino-1-benzyl-5-bromouracil
Article Data:	11

Formula:	C₁₁H₁₀BrN₃O₂
Molecular Weight:	296.123
Synonyms:	6-Amino-1-benzyl-5-bromo-1H-pyrimidine-2,4-dione;6-Amino-1-benzyl-5-bromopyrimidine-2,4(1H,3H)-dione;6-Amino-5-bromo-1-benzyl-1,3-dihydropyrimidine-2,4-dione;ZINC00339374;AC1LGIVV;AC1Q23VA;AC1Q50HG;
Density:	1.681 g/cm³
Melting Point:	220-222 °C
Appearance:	White solid
PSA:	80.88000
LogP:	1.51080

Synthetic route

: 620-08-6
4-methoxypyridine

: 420137-88-8
1-benzyl-5,5-dibromo-6-imino-dihydro-pyrimidine-2,4-dione

A: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

B: 420137-90-2
1-benzyl-8-methoxy-1H,3H-pyrido[2,1-f ]purine-2,4-dione

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 6h;	A n/a B 74%

...Expand

: 41862-11-7
1-benzyl-6-aminouracil

: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

Conditions

Conditions	Yield
With pyridine; N-Bromosuccinimide at 80℃;	74%
With N-Bromosuccinimide In acetonitrile at 80℃; for 1h;
With bromine; sodium hydrogencarbonate In methanol at 20℃; for 0.5h;

: 110-86-1
pyridine

: 41862-11-7
1-benzyl-6-aminouracil

A: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

B: 420137-84-4
1-benzyl-1H,3H-pyrido[2,1-f]purine-2,4-dione

Conditions

Conditions	Yield
With N-Bromosuccinimide at 80℃;	A 10% B 65%

...Expand

: 3978-81-2
4-tert-butylpyridine

: 420137-88-8
1-benzyl-5,5-dibromo-6-imino-dihydro-pyrimidine-2,4-dione

A: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

B: 420137-89-9
1-benzyl-7-tert-butyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 6h;	A n/a B 58%

...Expand

: 110-86-1
pyridine

: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

: 420137-84-4
1-benzyl-1H,3H-pyrido[2,1-f]purine-2,4-dione

Conditions

Conditions	Yield
With N-Bromosuccinimide at 80℃;	68%
In acetonitrile at 80℃; for 6h;

: 107-10-8
propylamine

: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

: 343346-91-8
6-amino-1-benzyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione

Conditions

Conditions	Yield
In water at 80℃; for 5h; Autoclave;	55%

: 124-22-1
n-Dodecylamine

: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

: 137476-10-9
6-amino-1-benzyl-5-(dodecylamino)-2,4-pyrimidinedione

Conditions

Conditions	Yield
In butan-1-ol for 3h; Heating;	45%

: 3978-81-2
4-tert-butylpyridine

: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

: 420137-89-9
1-benzyl-7-tert-butyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 6h;

: 620-08-6
4-methoxypyridine

: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

: 420137-90-2
1-benzyl-8-methoxy-1H,3H-pyrido[2,1-f ]purine-2,4-dione

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 6h;

: 939-23-1
p-phenylpyridine

: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

: 1-benzyl-7-phenyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 6h;

Raw Materials

41862-11-7

110-86-1

3978-81-2

620-08-6

Downstream Products

72816-88-7

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Specification

The 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-bromo-1-(phenylmethyl)- with CAS registry number of 72816-87-6 is also known as 6-Amino-5-bromo-1-benzyl-1,3-dihydropyrimidine-2,4-dione. The IUPAC name is 6-Amino-1-benzyl-5-bromopyrimidine-2,4-dione. It belongs to product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. In addition, the formula is C₁₁H₁₀BrN₃O₂ and the molecular weight is 296.12. What's more, this chemical is a white solid.

Physical properties about 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-bromo-1-(phenylmethyl)- are: (1)ACD/LogP: 0.47; (2)ACD/LogD (pH 5.5): 0.47; (3)ACD/LogD (pH 7.4): 0.46; (4)ACD/BCF (pH 5.5): 1.34; (5)ACD/BCF (pH 7.4): 1.31; (6)ACD/KOC (pH 5.5): 42.85; (7)ACD/KOC (pH 7.4): 41.96; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 65.72 cm³; (13)Molar Volume: 176 cm³; (14)Surface Tension: 66.1 dyne/cm; (15)Density: 1.681 g/cm³.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)Br)N
2. InChI: InChI=1S/C11H10BrN3O2/c12-8-9(13)15(11(17)14-10(8)16)6-7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,16,17)
3. InChIKey: MKHMQYHCJPMREC-UHFFFAOYSA-N