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

C17H15N3O4S — CID 135601719

IUPAC5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C17H15N3O4S/c21-9-11(10-5-2-1-3-6-10)18-16(23)13-14(22)17(24)20-15(19-13)12-7-4-8-25-12/h1-8,11,21-22H,9H2,(H,18,23)(H,19,20,24)/t11-/m0/s1
InChIKeyPWMZVBOUMPACGG-NSHDSACASA-N
MW357.39 g/mol
LogP1.67
Rot. Bonds5

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

5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135601719) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135601719
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C17H15N3O4S/c21-9-11(10-5-2-1-3-6-10)18-16(23)13-14(22)17(24)20-15(19-13)12-7-4-8-25-12/h1-8,11,21-22H,9H2,(H,18,23)(H,19,20,24)/t11-/m0/s1
InChIKeyPWMZVBOUMPACGG-NSHDSACASA-N
XLogP1.67
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-hydroxy-2-[3-[(2-hydroxy-1-phenylethyl)carbamoylamino]thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434447
5-hydroxy-N-[(2-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601735
5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971642
N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601905
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
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-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
CID 136659435
5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593223
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
7-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628621
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
5-hydroxy-6-oxo-2-[3-[(1-phenyl-2-phenylmethoxyethyl)carbamoylamino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
CID 135434456

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135601719) is 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is O=C(N[C@@H](CO)c1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is PWMZVBOUMPACGG-NSHDSACASA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-9-11(10-5-2-1-3-6-10)18-16(23)13-14(22)17(24)20-15(19-13)12-7-4-8-25-12/h1-8,11,21-22H,9H2,(H,18,23)(H,19,20,24)/t11-/m0/s1.
What are the key properties of 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).