4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine

C11H13ClN2S2 — CID 82316401

IUPAC4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine
SMILESCCCSc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C11H13ClN2S2/c1-4-5-15-11-13-9(12)8-6(2)7(3)16-10(8)14-11/h4-5H2,1-3H3
InChIKeyRKHRQGATFQNVBZ-UHFFFAOYSA-N
MW272.83 g/mol
LogP4.46
Rot. Bonds3

About 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine

4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine (PubChem CID 82316401) has the molecular formula C11H13ClN2S2 and a molecular weight of 272.83 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine
PubChem CID82316401
Molecular FormulaC11H13ClN2S2
Molecular Weight272.83 g/mol
Exact Mass272.02
IUPAC Name4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine
SMILESCCCSc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C11H13ClN2S2/c1-4-5-15-11-13-9(12)8-6(2)7(3)16-10(8)14-11/h4-5H2,1-3H3
InChIKeyRKHRQGATFQNVBZ-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.83
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[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-hexylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4255605
2-(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid
CID 82316387
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
2-(butoxymethyl)-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43267662
4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine
CID 43275113
4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 60875988
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
4-chloro-2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 62129002
2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 61269033
4-chloro-5,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 104602712
4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
CID 111537082
4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine (CID 82316401) is 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine is CCCSc1nc(Cl)c2c(C)c(C)sc2n1.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine?
The InChIKey is RKHRQGATFQNVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S2/c1-4-5-15-11-13-9(12)8-6(2)7(3)16-10(8)14-11/h4-5H2,1-3H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine has a molecular weight of 272.83 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 82316401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).