(4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide

C19H19N3OS — CID 40640102

IUPAC(4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCSC1=N[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C19H19N3OS/c1-13-16(18(23)21-15-11-7-4-8-12-15)17(22-19(20-13)24-2)14-9-5-3-6-10-14/h3-12,17H,1-2H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyXEPUDGGMHMGAMU-QGZVFWFLSA-N
MW337.45 g/mol
LogP3.96
Rot. Bonds3

About (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide

(4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 40640102) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID40640102
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCSC1=N[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C19H19N3OS/c1-13-16(18(23)21-15-11-7-4-8-12-15)17(22-19(20-13)24-2)14-9-5-3-6-10-14/h3-12,17H,1-2H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyXEPUDGGMHMGAMU-QGZVFWFLSA-N
XLogP3.96
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
CID 3439264
(4S)-2-benzylsulfanyl-4-(3-methoxy-4-methylphenyl)-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 126000957
(4S)-2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-[4-(dimethylamino)phenyl]-6-methyl-N-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 126001016
6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
CID 17376490
(4R)-5-cyano-2-methyl-6-methylsulfanyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
CID 51380859
2-ethylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid
CID 82220040
5-hydroxy-2-methyl-N,4-diphenyl-1,4-dihydroquinoline-3-carboxamide
CID 139228042
(4S)-2-methyl-N,4-diphenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 7307460
6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3562251
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929
(7S)-7-(4-bromophenyl)-5-methyl-2-methylsulfanyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136727457
(7R)-5-methyl-7-(4-methylsulfanylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1265888

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide (CID 40640102) is (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide is CSC1=N[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1.
What is the InChIKey of (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is XEPUDGGMHMGAMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-16(18(23)21-15-11-7-4-8-12-15)17(22-19(20-13)24-2)14-9-5-3-6-10-14/h3-12,17H,1-2H3,(H,20,22)(H,21,23)/t17-/m1/s1.
What are the key properties of (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide?
(4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 40640102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).