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6-(Benzylamino)-3-methyl-1H-pyrimidine-2,4-dione

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Name

6-(Benzylamino)-3-methyl-1H-pyrimidine-2,4-dione

EINECS N/A
CAS No. 5759-79-5 Density 1.29 g/cm3
PSA 66.89000 LogP 0.75870
Solubility N/A Melting Point N/A
Formula C12H13N3O2 Boiling Point N/A
Molecular Weight 231.254 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5759-79-5 (6-(BENZYLAMINO)-3-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE) Hazard Symbols N/A
Synonyms

2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-[(phenylmethyl)amino]-;

Article Data 3

6-(Benzylamino)-3-methyl-1H-pyrimidine-2,4-dione Specification

The CAS registry number of 6-(Benzylamino)-3-methyl-1H-pyrimidine-2,4-dione is 5759-79-5. This chemical is also known as 2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-[(phenylmethyl)amino]-. The molecular formula of it is C12H13N3O2 and molecular weight is 231.2505. Its systematic name is called 6-(benzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione.

Physical properties about this chemical are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 7.04; (6)ACD/BCF (pH 7.4): 5.84; (7)ACD/KOC (pH 5.5): 140.01; (8)ACD/KOC (pH 7.4): 116.23; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 63.58 cm3; (14)Molar Volume: 179.2 cm3; (15)Surface Tension: 56.6 dyne/cm; (16)Density: 1.29 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(/NCc1ccccc1)=C\C(=O)N2C
(2)InChI: InChI=1/C12H13N3O2/c1-15-11(16)7-10(14-12(15)17)13-8-9-5-3-2-4-6-9/h2-7,13H,8H2,1H3,(H,14,17)
(3)InChIKey: SSUJDSOIUQWHRZ-UHFFFAOYAW

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