5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide

C18H17N3O4S — CID 135971666

IUPAC5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(Cc3ccsc3)[nH]c(=O)c2O)c1
InChIInChI=1S/C18H17N3O4S/c1-25-13-4-2-3-11(7-13)9-19-17(23)15-16(22)18(24)21-14(20-15)8-12-5-6-26-10-12/h2-7,10,22H,8-9H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyLVIAYXMGYLFKJX-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.07
Rot. Bonds6

About 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide

5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide (PubChem CID 135971666) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide
PubChem CID135971666
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(Cc3ccsc3)[nH]c(=O)c2O)c1
InChIInChI=1S/C18H17N3O4S/c1-25-13-4-2-3-11(7-13)9-19-17(23)15-16(22)18(24)21-14(20-15)8-12-5-6-26-10-12/h2-7,10,22H,8-9H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyLVIAYXMGYLFKJX-UHFFFAOYSA-N
XLogP2.07
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601654
7-hydroxy-N-[(3-methoxyphenyl)methyl]-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733597
N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 17464042
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
5,6-dibromo-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652349
2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601617
N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-4-carboxamide
CID 135971582
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797275
6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 65017413
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide (CID 135971666) is 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide is COc1cccc(CNC(=O)c2nc(Cc3ccsc3)[nH]c(=O)c2O)c1.
What is the InChIKey of 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is LVIAYXMGYLFKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-13-4-2-3-11(7-13)9-19-17(23)15-16(22)18(24)21-14(20-15)8-12-5-6-26-10-12/h2-7,10,22H,8-9H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide?
5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(3-methoxyphenyl)methyl]-6-oxo-2-(thiophen-3-ylmethyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135971666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).