Molecular structure of 4-Methyl-6-hydroxy-5-(2-propynyl)-2-pyrimidinamine (CAS NO.81887-01-6) is:
Product Name: 4-Methyl-6-hydroxy-5-(2-propynyl)-2-pyrimidinamine
CAS Registry Number: 81887-01-6
Systematic Name: 2-amino-6-methyl-5-(prop-2-yn-1-yl)pyrimidin-4(1H)-one
Molecular Formula: C8H9N3O
Molecular Weight: 163.18
Index of Refraction: 1.589
Molar Refractivity: 45.36 cm3
Molar Volume: 134.5 cm3
Surface Tension: 43.6 dyne/cm
Density: 1.21 g/cm3
Flash Point: 132.3 °C
Enthalpy of Vaporization: 53.48 kJ/mol
Boiling Point: 295.1 °C at 760 mmHg
Vapour Pressure: 0.00156 mmHg at 25 °C
Product Categories: Heterocycle
SMILES: O=C/1/N=C(\N\C(=C\1CC#C)C)N
InChI: InChI=1/C8H9N3O/c1-3-4-6-5(2)10-8(9)11-7(6)12/h1H,4H2,2H3,(H3,9,10,11,12)
InChIKey: JXNPWSZLCOTXSA-UHFFFAOYAJ
Std. InChI: InChI=1S/C8H9N3O/c1-3-4-6-5(2)10-8(9)11-7(6)12/h1H,4H2,2H3,(H3,9,10,11,12)
Std. InChIKey: JXNPWSZLCOTXSA-UHFFFAOYSA-N
4-Methyl-6-hydroxy-5-(2-propynyl)-2-pyrimidinamine , its cas register number is 81887-01-6. It also can be called 2-Amino-6-methyl-5-prop-2-ynylpyrimidin-4-ol ; 4(3H)-Pyrimidinone,2-amino-6-methyl-5-(2-propyn-1-yl)- .
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