4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine

C11H13ClN2S2 — CID 103322872

IUPAC4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
SMILESCCC(C)Sc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C11H13ClN2S2/c1-4-6(2)15-9-8-5-7(3)16-10(8)14-11(12)13-9/h5-6H,4H2,1-3H3
InChIKeyCDAVGMZINFWCBW-UHFFFAOYSA-N
MW272.83 g/mol
LogP4.54
Rot. Bonds3

About 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine

4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine (PubChem CID 103322872) has the molecular formula C11H13ClN2S2 and a molecular weight of 272.83 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
PubChem CID103322872
Molecular FormulaC11H13ClN2S2
Molecular Weight272.83 g/mol
Exact Mass272.02
IUPAC Name4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
SMILESCCC(C)Sc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C11H13ClN2S2/c1-4-6(2)15-9-8-5-7(3)16-10(8)14-11(12)13-9/h5-6H,4H2,1-3H3
InChIKeyCDAVGMZINFWCBW-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[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-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334135
2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine
CID 107751336
3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 103323096
2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 103323107
2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine
CID 103320276
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine
CID 107780796
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 82066307
2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320887
2-N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322754
2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine
CID 103320167
N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196459

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine (CID 103322872) is 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine is CCC(C)Sc1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is CDAVGMZINFWCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S2/c1-4-6(2)15-9-8-5-7(3)16-10(8)14-11(12)13-9/h5-6H,4H2,1-3H3.
What are the key properties of 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine?
4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 272.83 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103322872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).