2-chloro-4-thiophen-2-ylpyrimidine

C8H5ClN2S — CID 14117941

IUPAC2-chloro-4-thiophen-2-ylpyrimidine
SMILESClc1nccc(-c2cccs2)n1
InChIInChI=1S/C8H5ClN2S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H
InChIKeyDTDHCBGOLGIIOA-UHFFFAOYSA-N
MW196.66 g/mol
LogP2.86
Rot. Bonds1

About 2-chloro-4-thiophen-2-ylpyrimidine

2-chloro-4-thiophen-2-ylpyrimidine (PubChem CID 14117941) has the molecular formula C8H5ClN2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 2-chloro-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-thiophen-2-ylpyrimidine
PubChem CID14117941
Molecular FormulaC8H5ClN2S
Molecular Weight196.66 g/mol
Exact Mass195.99
IUPAC Name2-chloro-4-thiophen-2-ylpyrimidine
SMILESClc1nccc(-c2cccs2)n1
InChIInChI=1S/C8H5ClN2S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H
InChIKeyDTDHCBGOLGIIOA-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-thiophen-2-ylpyrimidine 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

4-(Thiophen-2-yl)pyrimidin-2-amine
CID 2764407
4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine
CID 447955
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
N-methyl-N-[4-(2-thienyl)-2-pyrimidinyl]cyanamide
CID 1478182
N-(3-methylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14347006
4-N,4-N-dimethyl-1-N-(4-thiophen-2-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 14347133
N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
CID 9633938
2-Chlorothieno[3,2-d]pyrimidine
CID 45588463
2-(2,5-dimethyl-1H-pyrrol-1-yl)-4-(2-thienyl)pyrimidine
CID 3378098
4-(3-bromo-2-thienyl)-6-methyl-2-(1H-pyrrol-1-yl)pyrimidine
CID 3516975
1-[4-(2-thienyl)-2-pyrimidinyl]-1H-pyrrole-2-carbonitrile
CID 3555442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-thiophen-2-ylpyrimidine?
The IUPAC name of 2-chloro-4-thiophen-2-ylpyrimidine (CID 14117941) is 2-chloro-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-chloro-4-thiophen-2-ylpyrimidine is Clc1nccc(-c2cccs2)n1.
What is the InChIKey of 2-chloro-4-thiophen-2-ylpyrimidine?
The InChIKey is DTDHCBGOLGIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H.
What are the key properties of 2-chloro-4-thiophen-2-ylpyrimidine?
2-chloro-4-thiophen-2-ylpyrimidine has a molecular weight of 196.66 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 14117941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).