3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol

C10H11ClN2O2S2 — CID 103323096

IUPAC3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCc1cc2c(SCC(O)CO)nc(Cl)nc2s1
InChIInChI=1S/C10H11ClN2O2S2/c1-5-2-7-8(16-4-6(15)3-14)12-10(11)13-9(7)17-5/h2,6,14-15H,3-4H2,1H3
InChIKeyPOWXTERKGWWSKF-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.10
Rot. Bonds4

About 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol

3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol (PubChem CID 103323096) has the molecular formula C10H11ClN2O2S2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol
PubChem CID103323096
Molecular FormulaC10H11ClN2O2S2
Molecular Weight290.80 g/mol
Exact Mass290.00
IUPAC Name3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCc1cc2c(SCC(O)CO)nc(Cl)nc2s1
InChIInChI=1S/C10H11ClN2O2S2/c1-5-2-7-8(16-4-6(15)3-14)12-10(11)13-9(7)17-5/h2,6,14-15H,3-4H2,1H3
InChIKeyPOWXTERKGWWSKF-UHFFFAOYSA-N
XLogP2.10
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol 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-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine
CID 107751336
4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103322872
2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 103323107
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-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine
CID 103323023
(2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 97049200
2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine
CID 103320276
3-[5-chloro-2-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894566
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
3-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 79718915

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol (CID 103323096) is 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol is Cc1cc2c(SCC(O)CO)nc(Cl)nc2s1.
What is the InChIKey of 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol?
The InChIKey is POWXTERKGWWSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S2/c1-5-2-7-8(16-4-6(15)3-14)12-10(11)13-9(7)17-5/h2,6,14-15H,3-4H2,1H3.
What are the key properties of 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol?
3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol has a molecular weight of 290.80 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 103323096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).