2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide

C14H15N3O3S — CID 110331976

IUPAC2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2cccs2)[nH]c(=O)n1
InChIInChI=1S/C14H15N3O3S/c18-13(15-8-9-3-1-5-20-9)11-7-10(16-14(19)17-11)12-4-2-6-21-12/h2,4,6-7,9H,1,3,5,8H2,(H,15,18)(H,16,17,19)
InChIKeyLHJDOYZZGYCTCS-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.41
Rot. Bonds4

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

2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 110331976) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID110331976
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2cccs2)[nH]c(=O)n1
InChIInChI=1S/C14H15N3O3S/c18-13(15-8-9-3-1-5-20-9)11-7-10(16-14(19)17-11)12-4-2-6-21-12/h2,4,6-7,9H,1,3,5,8H2,(H,15,18)(H,16,17,19)
InChIKeyLHJDOYZZGYCTCS-UHFFFAOYSA-N
XLogP1.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
N-[2-(dimethylamino)ethyl]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110331977
N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71830129
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide
CID 42943811
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide
CID 136858480
N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18102026
N-[[(2S)-oxolan-2-yl]methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9266565
1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24624909
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
2-oxo-6-thiophen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrimidine-4-carboxamide
CID 110525744
4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 46541941

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 110331976) is 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1cc(-c2cccs2)[nH]c(=O)n1.
What is the InChIKey of 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is LHJDOYZZGYCTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-13(15-8-9-3-1-5-20-9)11-7-10(16-14(19)17-11)12-4-2-6-21-12/h2,4,6-7,9H,1,3,5,8H2,(H,15,18)(H,16,17,19).
What are the key properties of 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110331976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).