4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine

C16H15ClN2S — CID 28864504

IUPAC4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Cl)c2c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H15ClN2S/c1-9(2)11-4-6-12(7-5-11)13-10(3)20-16-14(13)15(17)18-8-19-16/h4-9H,1-3H3
InChIKeyYDODEBPBFFHNOB-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.44
Rot. Bonds2

About 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine

4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine (PubChem CID 28864504) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
PubChem CID28864504
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Cl)c2c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H15ClN2S/c1-9(2)11-4-6-12(7-5-11)13-10(3)20-16-14(13)15(17)18-8-19-16/h4-9H,1-3H3
InChIKeyYDODEBPBFFHNOB-UHFFFAOYSA-N
XLogP5.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.83
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[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

2-[2-[[6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 28852653
4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 28864492
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
4,6-dimethoxy-5-(4-propan-2-ylphenyl)pyrimidine
CID 139331961
5-(4-chlorophenyl)-6-methyl-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012285
N-(2-chloro-4,6-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659942
N-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695559
5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009828
2-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-3-hydroxypropanoic acid
CID 82022245
(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 735300
4-chloro-2-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011500
4-chloro-6-methyl-5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 95507005

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine (CID 28864504) is 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine is Cc1sc2ncnc(Cl)c2c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is YDODEBPBFFHNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-9(2)11-4-6-12(7-5-11)13-10(3)20-16-14(13)15(17)18-8-19-16/h4-9H,1-3H3.
What are the key properties of 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine?
4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 302.83 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 28864504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).