AG0037QF

518048-03-8 | 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

AG0037QF

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CAS Number	518048-03-8
Catalog Number	AG0037QF(AGN-PC-0SBAQK)
Chemical Name	2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
EC Number	465-070-0
IUPAC Name	2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
InChI	InChI=1S/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)
InChI Key	AQLZTHZLYFFVIJ-UHFFFAOYSA-N
MDL Number	MFCD10698741
Molecular Formula	C16H19FN4O3
Molecular Weight	334.3455
SMILES	NC(C)(C)C=1N(C(C(=C(N1)C(=O)NCC1=CC=C(C=C1)F)O)=O)C
Synonyms	518048-03-8, 2-(2-aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide, 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide, AK-40685, 2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide, C16H19FN4O3, Raltegravir amine, 2-(1-amino-1-methyl-ethyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid 4-fluoro-benzylamide, 2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihy dropyrimidine-4-carboxami, 2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxami, UNII-5U1A5S652K, SCHEMBL1151004, AMMD00036, CTK4J4887, DTXSID50716265, AQLZTHZLYFFVIJ-UHFFFAOYSA-N, 5U1A5S652K, BCP11621, KS-000024MQ, ZX-RL003887, ANW-48881, MFCD10698741, ZINC21299550, AKOS015899148, AC-1805, AM85799, AN-5226, CS-W000543, DS-1539, RL03909, AJ-78279, BC683559, BR-40685, C161, PC400516, AB0031666, AB1008490, AX8163964, RT-006944, TL8003426, 4CH-008959, FT-0661911, ST24027467, X4816, S-5065, 048A038, J-505521, I14-12022, DES(5-methyl-1,3,4-oxadiazole-2-carbonyl)raltegravir, (6Z)-2-(1-amino-1-methyl-ethyl)-6-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3-methyl-pyrimidine-4,5-dione, 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carbox, 2-(1-amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine4-carboxamide, 2-(1-Amino-1-methylethyl)-N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-4-pyrimidinecarboxamide, 2-(2-aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-car, 2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide, 4-Pyrimidinecarboxamide, 2-(1-amino-1-methylethyl)-N-((4-fluorophenyl)methyl)-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-, 4-Pyrimidinecarboxamide,2-(1-amino-1-methylethyl)-N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-, boxamide, null, ACN-053811, EC 465-070-0, 2- -N- -5-HYDROXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXAMIDE,

Complexity	592
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.144g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	334.351g/mol
Monoisotopic Mass	334.144g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

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