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Basic Information
CAS No.: 15981-91-6
Name: 4(1H)-Pyrimidinone, 2-amino-5-methyl- (7CI,8CI,9CI)
Article Data: 11
Molecular Structure:
Molecular Structure of 15981-91-6 (4(1H)-Pyrimidinone, 2-amino-5-methyl- (7CI,8CI,9CI))
Formula: C5H7N3O
Molecular Weight: 125.13
Synonyms: 4(1H)-Pyrimidinone,2-amino-5-methyl- (7CI,8CI,9CI);2-amino-5-methyl-4(1H)-pyrimidinone;5-Methylisocytosine;NSC 60208;
Density: 1.44 g/cm3
Melting Point: 277-279 °C
Risk Codes: 41
Safety: 26-39
PSA: 71.77000
LogP: 0.24170
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Specification

The 4(3H)-Pyrimidinone,2-amino-5-methyl-, with the CAS registry number 15981-91-6, is also known as 2-Amino-5-methylpyrimidin-4(3H)-one. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H7N3O and molecular weight is 125.12858. What's more, its IUPAC name is called 2-Amino-5-methyl-1H-pyrimidin-6-one.

Physical properties about 4(3H)-Pyrimidinone,2-amino-5-methyl- are: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.95; (8)ACD/KOC (pH 7.4): 14.37; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 31.72 cm3; (15)Molar Volume: 86.8 cm3; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.44 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C(=C\N=C(\N)N1)C
(2) InChI: InChI=1/C5H7N3O/c1-3-2-7-5(6)8-4(3)9/h2H,1H3,(H3,6,7,8,9)
(3) InChIKey: YKUFMYSNUQLIQS-UHFFFAOYAS