N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

C14H11N3O4S — CID 135601905

IUPACN-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C14H11N3O4S/c18-11-10(13(19)15-7-8-3-1-5-21-8)16-12(17-14(11)20)9-4-2-6-22-9/h1-6,18H,7H2,(H,15,19)(H,16,17,20)
InChIKeyJPXYQAVBHDQDNT-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.73
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135601905) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135601905
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC NameN-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccco1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C14H11N3O4S/c18-11-10(13(19)15-7-8-3-1-5-21-8)16-12(17-14(11)20)9-4-2-6-22-9/h1-6,18H,7H2,(H,15,19)(H,16,17,20)
InChIKeyJPXYQAVBHDQDNT-UHFFFAOYSA-N
XLogP1.73
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-N-[(3-methanethioyl-1,2-oxazol-5-yl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 142236196
5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601762
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
5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971617
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
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55467216
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 28714206
[2-[4-(benzylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]thiophen-3-yl]carbamic acid
CID 136647639
N-(furan-2-ylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 51225250
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-(furan-2-ylmethyl)-5-(methylamino)-8-thiophen-2-yl-1,6-naphthyridine-2-carboxamide
CID 58979585

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135601905) is N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCc1ccco1)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is JPXYQAVBHDQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-11-10(13(19)15-7-8-3-1-5-21-8)16-12(17-14(11)20)9-4-2-6-22-9/h1-6,18H,7H2,(H,15,19)(H,16,17,20).
What are the key properties of N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 317.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).