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2209-72-5

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Basic Information
CAS No.: 2209-72-5
Name: 4-AMINO-6-HYDROXY-2-METHYL-5-NITROSOPYRIMIDINE
Molecular Structure:
Molecular Structure of 2209-72-5 (4-AMINO-6-HYDROXY-2-METHYL-5-NITROSOPYRIMIDINE)
Formula: C5H6N4O2
Molecular Weight: 154.128
Synonyms: 4(1H)-Pyrimidinone,6-amino-2-methyl-5-nitroso- (9CI);4-Pyrimidinol, 6-amino-2-methyl-5-nitroso-(7CI);NSC 512913;
EINECS: 218-634-3
Density: 1.73g/cm3
Boiling Point: 221.9 °C at 760 mmHg
Flash Point: 88 °C
PSA: 101.46000
LogP: 1.05190
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Specification

The 4(3H)-Pyrimidinone,6-amino-2-methyl-5-nitroso-, with CAS registry number 2209-72-5, has the systematic name of 6-amino-2-methyl-5-nitrosopyrimidin-4(1H)-one. Besides this, it is also called 4-Amino-6-hydroxy-2-methyl-5-nitrosopyrimidine. And the chemical formula of this chemical is C5H6N4O2.

Physical properties of 4(3H)-Pyrimidinone,6-amino-2-methyl-5-nitroso-: (1)ACD/LogP: -1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.11; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.94; (8)ACD/KOC (pH 7.4): 5.1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.34 Å2; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 35.63 cm3; (15)Molar Volume: 89 cm3; (16)Polarizability: 14.12×10-24cm3; (17)Surface Tension: 75.9 dyne/cm; (18)Density: 1.73 g/cm3; (19)Flash Point: 88 °C; (20)Enthalpy of Vaporization: 45.83 kJ/mol; (21)Boiling Point: 221.9 °C at 760 mmHg; (22)Vapour Pressure: 0.105 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N\C1=C(\N\C(=N/C1=O)C)N
(2)InChI: InChI=1/C5H6N4O2/c1-2-7-4(6)3(9-11)5(10)8-2/h1H3,(H3,6,7,8,10)
(3)InChIKey: DRDJDNORXOOBHR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H6N4O2/c1-2-7-4(6)3(9-11)5(10)8-2/h1H3,(H3,6,7,8,10)
(5)Std. InChIKey: DRDJDNORXOOBHR-UHFFFAOYSA-N