4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide

C21H23N3O2S — CID 3439264

IUPAC4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2N=C(SC)NC(C)=C2C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H23N3O2S/c1-13-7-5-6-8-17(13)23-20(25)18-14(2)22-21(27-4)24-19(18)15-9-11-16(26-3)12-10-15/h5-12,19H,1-4H3,(H,22,24)(H,23,25)
InChIKeyHHOPPGKYQRYTHS-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.28
Rot. Bonds4

About 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide

4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 3439264) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID3439264
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2N=C(SC)NC(C)=C2C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H23N3O2S/c1-13-7-5-6-8-17(13)23-20(25)18-14(2)22-21(27-4)24-19(18)15-9-11-16(26-3)12-10-15/h5-12,19H,1-4H3,(H,22,24)(H,23,25)
InChIKeyHHOPPGKYQRYTHS-UHFFFAOYSA-N
XLogP4.28
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide
CID 17376490
(4R)-6-methyl-2-methylsulfanyl-N,4-diphenyl-1,4-dihydropyrimidine-5-carboxamide
CID 40640102
4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2849941
(7R)-7-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1191094
4-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 2767541
2-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135610775
4-(4-methoxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142904
(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 7343055
(6R)-6-(4-methoxyphenyl)-3,4-dimethyl-N-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 1000116
2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-(2-methylphenyl)-4-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide
CID 4893317
(4R)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 51407034
2-(1,3-benzoxazol-2-ylamino)-6-methyl-N-(2-methylphenyl)-4-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 4973038

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide (CID 3439264) is 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide is COc1ccc(C2N=C(SC)NC(C)=C2C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is HHOPPGKYQRYTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13-7-5-6-8-17(13)23-20(25)18-14(2)22-21(27-4)24-19(18)15-9-11-16(26-3)12-10-15/h5-12,19H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide?
4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 3439264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).