(4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C17H17N3O2S — CID 873557

IUPAC(4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(C)cs2)NC(=O)N1
InChIInChI=1S/C17H17N3O2S/c1-10-8-13(23-9-10)15-14(11(2)18-17(22)20-15)16(21)19-12-6-4-3-5-7-12/h3-9,15H,1-2H3,(H,19,21)(H2,18,20,22)/t15-/m1/s1
InChIKeyXWAMGUAFNYNYAW-OAHLLOKOSA-N
MW327.41 g/mol
LogP3.32
Rot. Bonds3

About (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 873557) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID873557
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(C)cs2)NC(=O)N1
InChIInChI=1S/C17H17N3O2S/c1-10-8-13(23-9-10)15-14(11(2)18-17(22)20-15)16(21)19-12-6-4-3-5-7-12/h3-9,15H,1-2H3,(H,19,21)(H2,18,20,22)/t15-/m1/s1
InChIKeyXWAMGUAFNYNYAW-OAHLLOKOSA-N
XLogP3.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858300
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
(4S)-4-(4-tert-butylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7798160
N-(3,4-dimethylphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3143200
6-methyl-2-oxo-N-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3107278
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3562251
(4S)-N-(4-methoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695933
(4S)-4-(2,6-dichlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1235054
(4S)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1093065
(4S)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7714723
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 749494

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 873557) is (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(C)cs2)NC(=O)N1.
What is the InChIKey of (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is XWAMGUAFNYNYAW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-8-13(23-9-10)15-14(11(2)18-17(22)20-15)16(21)19-12-6-4-3-5-7-12/h3-9,15H,1-2H3,(H,19,21)(H2,18,20,22)/t15-/m1/s1.
What are the key properties of (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methyl-4-(4-methylthiophen-2-yl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 873557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).