(4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C18H17FN4O3 — CID 26182756

IUPAC(4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(NC2=N[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2)cc1
InChIInChI=1S/C18H17FN4O3/c1-26-14-8-6-13(7-9-14)21-18-22-15(10-16(24)23-18)17(25)20-12-4-2-11(19)3-5-12/h2-9,15H,10H2,1H3,(H,20,25)(H2,21,22,23,24)/t15-/m0/s1
InChIKeyOOCNKKLJBYCIHU-HNNXBMFYSA-N
MW356.36 g/mol
LogP2.13
Rot. Bonds4

About (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 26182756) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID26182756
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name(4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(NC2=N[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2)cc1
InChIInChI=1S/C18H17FN4O3/c1-26-14-8-6-13(7-9-14)21-18-22-15(10-16(24)23-18)17(25)20-12-4-2-11(19)3-5-12/h2-9,15H,10H2,1H3,(H,20,25)(H2,21,22,23,24)/t15-/m0/s1
InChIKeyOOCNKKLJBYCIHU-HNNXBMFYSA-N
XLogP2.13
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182757
(4R)-2-(4-fluoroanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 6579586
(4R)-2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40975994
(4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41168544
(4S)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1153001
(4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1146691
(4S)-2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2027293
(4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2027295
(4S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40814603
(4S)-N-benzyl-2-(4-ethoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1090239
(4S)-2-anilino-N-(1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182148
(4R)-2-(1,3-benzothiazol-2-ylamino)-N-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2362480

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 26182756) is (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is COc1ccc(NC2=N[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2)cc1.
What is the InChIKey of (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is OOCNKKLJBYCIHU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-26-14-8-6-13(7-9-14)21-18-22-15(10-16(24)23-18)17(25)20-12-4-2-11(19)3-5-12/h2-9,15H,10H2,1H3,(H,20,25)(H2,21,22,23,24)/t15-/m0/s1.
What are the key properties of (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
(4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 26182756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).