5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

C17H15N3O3S — CID 135601762

IUPAC5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3cccs3)[nH]c(=O)c2O)cc1
InChIInChI=1S/C17H15N3O3S/c1-10-4-6-11(7-5-10)9-18-16(22)13-14(21)17(23)20-15(19-13)12-3-2-8-24-12/h2-8,21H,9H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyBHSASERQYVVBSX-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.44
Rot. Bonds4

About 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135601762) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135601762
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(-c3cccs3)[nH]c(=O)c2O)cc1
InChIInChI=1S/C17H15N3O3S/c1-10-4-6-11(7-5-10)9-18-16(22)13-14(21)17(23)20-15(19-13)12-3-2-8-24-12/h2-8,21H,9H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyBHSASERQYVVBSX-UHFFFAOYSA-N
XLogP2.44
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-[(2-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601735
N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601905
5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971642
5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971617
5-hydroxy-N-[(3-methanethioyl-1,2-oxazol-5-yl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 142236196
[2-[4-(benzylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]thiophen-3-yl]carbamic acid
CID 136647639
5-hydroxy-6-oxo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971587
5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid;methyl 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylate
CID 159744997
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane
CID 159739463
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601952
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 135602033
2-[3-(benzylcarbamoylamino)thiophen-2-yl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434428

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135601762) is 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2nc(-c3cccs3)[nH]c(=O)c2O)cc1.
What is the InChIKey of 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is BHSASERQYVVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-10-4-6-11(7-5-10)9-18-16(22)13-14(21)17(23)20-15(19-13)12-3-2-8-24-12/h2-8,21H,9H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).