4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine

C8H7ClN2S — CID 53443687

IUPAC4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(C)csc2n1
InChIInChI=1S/C8H7ClN2S/c1-4-3-12-8-6(4)7(9)10-5(2)11-8/h3H,1-2H3
InChIKeyJYVYSSMMLABHII-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.96
Rot. Bonds

About 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine

4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine (PubChem CID 53443687) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine
PubChem CID53443687
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(C)csc2n1
InChIInChI=1S/C8H7ClN2S/c1-4-3-12-8-6(4)7(9)10-5(2)11-8/h3H,1-2H3
InChIKeyJYVYSSMMLABHII-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine 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-Chloro-5-methylthieno[2,3-d]pyrimidine
CID 290225
4-Chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine
CID 89089837
4-Chloro-2-methylthieno[2,3-d]pyrimidine
CID 818255
2,4-Dichlorothieno[2,3-d]pyrimidine
CID 12217324
4-Chloro-2-ethylthieno(2,3-d)pyrimidine
CID 12225260
2,4-Dichloro-5-methylthieno(2,3-d)pyrimidine
CID 12225299
4-Chlorothieno(2,3-d)pyrimidin-2-amine
CID 55283246
4-Chloro-5-iodothieno[2,3-d]pyrimidine
CID 70700953
6-Bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine
CID 118024084
4-Chloro-2-ethyl-5-methylthieno[2,3-d]pyrimidine
CID 137424667
4-Chloro-2-methyl-5-(2-methylpropyl)thieno(2,3-d)pyrimidine
CID 4961605
4-Chloro-6-iodo-5-methylthieno[2,3-d]pyrimidine
CID 130115301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine (CID 53443687) is 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine is Cc1nc(Cl)c2c(C)csc2n1.
What is the InChIKey of 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is JYVYSSMMLABHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-4-3-12-8-6(4)7(9)10-5(2)11-8/h3H,1-2H3.
What are the key properties of 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine?
4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 198.68 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 53443687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).