4(3H)-Pyrimidinone,2-amino-5-methyl- supplier

Name
4(1H)-Pyrimidinone, 2-amino-5-methyl- (7CI,8CI,9CI)
EINECS
CAS No. 15981-91-6
Article Data11
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point 277-279 °C
Formula C₅H₇N₃O
Boiling Point
Molecular Weight 125.13
Flash Point
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,2-amino-5-methyl- (7CI,8CI,9CI);2-amino-5-methyl-4(1H)-pyrimidinone;5-Methylisocytosine;NSC 60208;
PSA 71.77000
LogP 0.24170

4(3H)-Pyrimidinone,2-amino-5-methyl- 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

Product Name

4(1H)-Pyrimidinone, 2-amino-5-methyl- (7CI,8CI,9CI)

4(3H)-Pyrimidinone,2-amino-5-methyl- Specification

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