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

C17H15N3O3S — CID 135446347

IUPAC5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C17H15N3O3S/c21-14-13(16(22)18-9-8-11-5-2-1-3-6-11)19-15(20-17(14)23)12-7-4-10-24-12/h1-7,10,21H,8-9H2,(H,18,22)(H,19,20,23)
InChIKeyYIJIHQLVOLKLDA-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.18
Rot. Bonds5

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

5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135446347) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135446347
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C17H15N3O3S/c21-14-13(16(22)18-9-8-11-5-2-1-3-6-11)19-15(20-17(14)23)12-7-4-10-24-12/h1-7,10,21H,8-9H2,(H,18,22)(H,19,20,23)
InChIKeyYIJIHQLVOLKLDA-UHFFFAOYSA-N
XLogP2.18
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135446347) is 5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCCc1ccccc1)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is YIJIHQLVOLKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-14-13(16(22)18-9-8-11-5-2-1-3-6-11)19-15(20-17(14)23)12-7-4-10-24-12/h1-7,10,21H,8-9H2,(H,18,22)(H,19,20,23).
What are the key properties of 5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-N-(2-phenylethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135446347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).