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518048-03-8

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Basic Information
CAS No.: 518048-03-8
Name: 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Article Data: 15
Molecular Structure:
Molecular Structure of 518048-03-8 (2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide)
Formula: C16H19FN4O3
Molecular Weight: 334.35
Synonyms: 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide;(1-Hydroxy-3-isohexenyl)naphthazarine;
EINECS: 1592732-453-0
Density: 1.373 g/cm3
Melting Point: 105-107°C
Boiling Point: 567.4 °C at 760 mmHg
Flash Point: 311 °C
Appearance: White solid (powder)
PSA: 110.24000
LogP: 1.84000
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Chemistry

Following is the structure of 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide (CAS NO.518048-03-8):
                       
Empirical Formula: C16H19FN4O3
Molecular Weight: 334.3455 g/mol
Molar Refractivity: 85.56 cm3
Molar Volume: 247.6 cm3
Index of Refraction: 1.607
Density of 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide (CAS NO.518048-03-8): 1.35 g/cm3
Surface Tension of 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide (CAS NO.518048-03-8): 48.3 dyne/cm
SMILES: CN/1C(=O)C(/O)=C(\N=C\1C(N)(C)C)C(=O)NCc2ccc(F)cc2
InChI: InChI=1/C16H19FN4O3/c1-16(2,18)15-20-11(12(22)14(24)21(15)3)13(23)19-8-9-4-6-10(17)7-5-9/h4-7,22H,8,18H2,1-3H3,(H,19,23)
InChIKey: AQLZTHZLYFFVIJ-UHFFFAOYAZ

Specification

 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide , its cas register number is 518048-03-8. It also can be called 2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide ; and 4-Pyrimidinecarboxamide, 2-(1-amino-1-methylethyl)-N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo- .