2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine

C15H13ClN2S — CID 71072779

IUPAC2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine
SMILESCCc1nc(-c2ccccc2Cl)nc2c(C)csc12
InChIInChI=1S/C15H13ClN2S/c1-3-12-14-13(9(2)8-19-14)18-15(17-12)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3
InChIKeyROOICXIIDRIUBE-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.88
Rot. Bonds2

About 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine

2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine (PubChem CID 71072779) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine
PubChem CID71072779
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine
SMILESCCc1nc(-c2ccccc2Cl)nc2c(C)csc12
InChIInChI=1S/C15H13ClN2S/c1-3-12-14-13(9(2)8-19-14)18-15(17-12)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3
InChIKeyROOICXIIDRIUBE-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-4-ethyl-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

Related Compounds

2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63560185
5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole
CID 163581067
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66294183
2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
CID 63549132
2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61338037
3-(2-chlorophenyl)-2,4-dimethylthiophene
CID 154275131
4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 70312186
N-[[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745500
5-(2-chlorophenyl)-6-ethylpyridin-2-amine
CID 155778431
4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
CID 80550476
2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307572
3-(2-chlorophenyl)-2-ethylpyridine
CID 118357808

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine (CID 71072779) is 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine is CCc1nc(-c2ccccc2Cl)nc2c(C)csc12.
What is the InChIKey of 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is ROOICXIIDRIUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-3-12-14-13(9(2)8-19-14)18-15(17-12)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine?
2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 288.80 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 71072779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).