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267224-18-0

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Basic Information
CAS No.: 267224-18-0
Name: 5-Pyrimidinol, 2-amino-4,6-dimethoxy- (9CI)
Article Data: 1
Molecular Structure:
Molecular Structure of 267224-18-0 (5-Pyrimidinol, 2-amino-4,6-dimethoxy- (9CI))
Formula: C6H9N3O3
Molecular Weight: 171.156
Synonyms: 2-amino-4,6-dimethoxy-5-hydroxypyrimidine; 2-AMINO-4,6-DIMETHOXY-5-PYRIMIDINOL;
Density: 1.373g/cm3
Boiling Point: 404.3 °C at 760 mmHg
Flash Point: 198.3 °C
PSA: 91.22000
LogP: -0.28830
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Specification

The 2-Amino-4,6-dimethoxy-5-pyrimidinol, with CAS registry number 267224-18-0, belongs to the following product category: Pyrimidine. It has the systematic name of 5-pyrimidinol, 2-amino-4,6-dimethoxy-. And the chemical formula of this chemical is C6H9N3O3.

Physical properties of 2-Amino-4,6-dimethoxy-5-pyrimidinol: (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): 2.44; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 90.49 Å2; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 41.91 cm3; (12)Molar Volume: 124.5 cm3; (13)Polarizability: 16.61×10-24cm3; (14)Surface Tension: 62 dyne/cm; (15)Enthalpy of Vaporization: 68.12 kJ/mol; (16)Vapour Pressure: 4.09E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(c(nc(n1)N)OC)O
(2)InChI: InChI=1/C6H9N3O3/c1-11-4-3(10)5(12-2)9-6(7)8-4/h10H,1-2H3,(H2,7,8,9)
(3)InChIKey: HNNIWFQDRBHOFK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H9N3O3/c1-11-4-3(10)5(12-2)9-6(7)8-4/h10H,1-2H3,(H2,7,8,9)
(5)Std. InChIKey: HNNIWFQDRBHOFK-UHFFFAOYSA-N