CAS No.4214-85-1,4(1H)-Pyrimidinone, 2-amino-6-methyl-5-nitro- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4214-85-1
Name:	4(1H)-Pyrimidinone, 2-amino-6-methyl-5-nitro-

Formula:	C₅H₆N₄O₃
Molecular Weight:	170.13
Synonyms:	4(1H)-Pyrimidinone,2-amino-6-methyl-5-nitro- (9CI);4-Pyrimidinol, 2-amino-6-methyl-5-nitro-(6CI,7CI,8CI);2-Amino-6-methyl-5-nitro-4-pyrimidinol;NSC 73576;
Density:	1.84 g/cm³
Melting Point:	>300 °C
Boiling Point:	305.9oC at 760 mmHg
Flash Point:	138.8oC
PSA:	117.59000
LogP:	0.67310

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Specification

The 4(3H)-Pyrimidinone,2-amino-6-methyl-5-nitro-, with the CAS registry number 4214-85-1, is also known as 2-Amino-6-methyl-5-nitropyrimidin-4(1H)-one. It belongs to the product categories of Pyrimidine Series. This chemical's molecular formula is C₅H₆N₄O₃ and molecular weight is 170.1261. What's more, its IUPAC name is called 2-Amino-6-methyl-5-nitro-1H-pyrimidin-4-one.

Physical properties about 4(3H)-Pyrimidinone,2-amino-6-methyl-5-nitro- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.315; (5)ACD/KOC (pH 7.4): 2.941; (6)#H bond acceptors: 7; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 113.3 Å²; (10)Index of Refraction: 1.742; (11)Molar Refractivity: 37.384 cm³; (12)Molar Volume: 92.472 cm³; (13)Surface Tension: 87.586 dyne/cm; (14)Density: 1.84 g/cm³.

Preparation of 4(3H)-Pyrimidinone,2-amino-6-methyl-5-nitro-: this chemical can be prepared by 2-Amino-6-methyl-3H-pyrimidin-4-one. This reaction needs reagents HNO₃, H₂SO₄ at ambient temperature. The reaction time is 3 hours. The yield is 89 %.

Uses of 4(3H)-Pyrimidinone,2-amino-6-methyl-5-nitro-: it is used to produce other chemicals. For example, it is used to produce N,N-Dimethyl-N'-(4-methyl-5-nitro-6-oxo-1,6-dihydro-pyrimidin-2-yl)-formamidine. The reaction occurs with reagent CH₂Cl₂ at ambient temperature for 1 hour. The yield is 91 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(c(=O)[nH]c(n1)N)N(=O)=O
(2) InChI: InChI=1/C5H6N4O3/c1-2-3(9(11)12)4(10)8-5(6)7-2/h1H3,(H3,6,7,8,10)
(3) InChIKey: PFTYCGMGNJVFIX-UHFFFAOYAB