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5177-15-1

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Basic Information
CAS No.: 5177-15-1
Name: 4-Methyl-6-methylamino-5-nitro-3H-pyrimidin-2-one
Molecular Structure:
Molecular Structure of 5177-15-1 (4-Methyl-6-methylamino-5-nitro-3H-pyrimidin-2-one)
Formula: C6H8N4O3
Molecular Weight: 184.1527
Synonyms: 2(1H)-Pyrimidinone, 4-methyl-6-(methylamino)-5-nitro-;
Density: 1.59 g/cm3
PSA: 103.60000
LogP: 0.62440
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    4-Methyl-6-methylamino-5-nitro-3H-pyrimidin-2-one cas 5177-15-1Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 4-Methyl-6-methylamino-5-nitro-3H-pyrimidin-2-one, with the CAS registry number of 5177-15-1, is also known as 2(1H)-Pyrimidinone, 4-methyl-6-(methylamino)-5-nitro-. Its molecular formula is C6H8N4O3 and molecular weight is 184.1527. What's more, its IUPAC name is 6-Methyl-4-(methylamino)-5-nitro-1H-pyrimidin-2-one.

Physical properties about the 4-Methyl-6-methylamino-5-nitro-3H-pyrimidin-2-one are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 81.73 Å2; (11)Index of Refraction: 1.664; (12)Molar Refractivity: 42.94 cm3; (13)Molar Volume: 115.6 cm3; (14)Surface Tension: 63.5 dyne/cm; (15)Density: 1.59 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/N=C(\C(\[N+]([O-])=O)=C(/N1)C)NC
(2) InChI: InChI=1/C6H8N4O3/c1-3-4(10(12)13)5(7-2)9-6(11)8-3/h1-2H3,(H2,7,8,9,11)
(3) InChIKey: ARIDMAKFIUPVNQ-UHFFFAOYAX