5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

C9H7N3O3S — CID 135446332

IUPAC5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C9H7N3O3S/c10-7(14)5-6(13)9(15)12-8(11-5)4-2-1-3-16-4/h1-3,13H,(H2,10,14)(H,11,12,15)
InChIKeySCXAUENZKSNKQP-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.30
Rot. Bonds2

About 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135446332) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135446332
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C9H7N3O3S/c10-7(14)5-6(13)9(15)12-8(11-5)4-2-1-3-16-4/h1-3,13H,(H2,10,14)(H,11,12,15)
InChIKeySCXAUENZKSNKQP-UHFFFAOYSA-N
XLogP0.30
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135602095
6-Methyl-2-(thiophen-2-YL)pyrimidin-4-OL
CID 135418928
5-Hydroxy-1-methyl-6-oxo-2-(2-thienyl)pyrimidine-4-carboxylic acid
CID 54727893
5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid
CID 135433415
5,6-dihydroxy-N-phenyl-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135446331
5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid methyl ester
CID 135446971
5,6-dihydroxy-2-(2-thienyl)-N-(2-thienylmethyl)pyrimidine-4-carboxamide
CID 135971583
5-hydroxy-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 118736598
N-(cyclohexylmethyl)-5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxamide
CID 135446344
5-hydroxy-6-oxo-N,2-dithiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136060583
5-hydroxy-N-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094876
5-hydroxy-N-(2-hydroxyethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 136094878

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135446332) is 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is NC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is SCXAUENZKSNKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c10-7(14)5-6(13)9(15)12-8(11-5)4-2-1-3-16-4/h1-3,13H,(H2,10,14)(H,11,12,15).
What are the key properties of 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 237.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).