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

C19H19N3O2S — CID 3562251

IUPAC6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCSc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-16(18(23)21-14-6-4-3-5-7-14)17(22-19(24)20-12)13-8-10-15(25-2)11-9-13/h3-11,17H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyGNDJNODCYFGXGK-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.68
Rot. Bonds4

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

6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 3562251) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID3562251
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCSc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-16(18(23)21-14-6-4-3-5-7-14)17(22-19(24)20-12)13-8-10-15(25-2)11-9-13/h3-11,17H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyGNDJNODCYFGXGK-UHFFFAOYSA-N
XLogP3.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-tert-butylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7798160
(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858309
(4S)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7714723
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
(4S)-4-(4-bromophenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40606898
6-methyl-2-oxo-4-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 172640636
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349
(4R)-4-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7110409
benzyl (4R)-6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1309755
(4R)-N-(4-bromophenyl)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111572

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 3562251) is 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CSc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is GNDJNODCYFGXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-16(18(23)21-14-6-4-3-5-7-14)17(22-19(24)20-12)13-8-10-15(25-2)11-9-13/h3-11,17H,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3562251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).