4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide

C18H17N3O2S — CID 136731179

IUPAC4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(C)c(C)s3)c2)n1
InChIInChI=1S/C18H17N3O2S/c1-10-7-15(24-12(10)3)18(23)20-14-6-4-5-13(9-14)17-19-11(2)8-16(22)21-17/h4-9H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyXPAGAWHFLGUXDK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.68
Rot. Bonds3

About 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide

4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 136731179) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID136731179
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(C)c(C)s3)c2)n1
InChIInChI=1S/C18H17N3O2S/c1-10-7-15(24-12(10)3)18(23)20-14-6-4-5-13(9-14)17-19-11(2)8-16(22)21-17/h4-9H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyXPAGAWHFLGUXDK-UHFFFAOYSA-N
XLogP3.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166261151
N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(trifluoromethoxy)benzamide
CID 155630374
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 136741983
(2S,3S)-2-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136804360
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 136512991
cis-(1S,3R)-2,2-dimethyl-3-[[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 136887824
1-(2-aminoethyl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]triazole-4-carboxamide
CID 166321128
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide (CID 136731179) is 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(C)c(C)s3)c2)n1.
What is the InChIKey of 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is XPAGAWHFLGUXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-10-7-15(24-12(10)3)18(23)20-14-6-4-5-13(9-14)17-19-11(2)8-16(22)21-17/h4-9H,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 136731179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).