2,4-dichloro-7-methylthieno[3,2-d]pyrimidine

C7H4Cl2N2S — CID 7147064

IUPAC2,4-dichloro-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C7H4Cl2N2S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3
InChIKeyWUXYWALKGQDXFI-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.31
Rot. Bonds

About 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine

2,4-dichloro-7-methylthieno[3,2-d]pyrimidine (PubChem CID 7147064) has the molecular formula C7H4Cl2N2S and a molecular weight of 219.10 g/mol. Its IUPAC name is 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-methylthieno[3,2-d]pyrimidine
PubChem CID7147064
Molecular FormulaC7H4Cl2N2S
Molecular Weight219.10 g/mol
Exact Mass217.95
IUPAC Name2,4-dichloro-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C7H4Cl2N2S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3
InChIKeyWUXYWALKGQDXFI-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-7-methylthieno[3,2-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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine (CID 7147064) is 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine is Cc1csc2c(Cl)nc(Cl)nc12.
What is the InChIKey of 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is WUXYWALKGQDXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3.
What are the key properties of 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine?
2,4-dichloro-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 219.10 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 7147064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).