2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine

C12H15ClN2S2 — CID 107751336

IUPAC2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(SCCC(C)C)nc(Cl)nc2s1
InChIInChI=1S/C12H15ClN2S2/c1-7(2)4-5-16-10-9-6-8(3)17-11(9)15-12(13)14-10/h6-7H,4-5H2,1-3H3
InChIKeyOHKWJYGDHOOZJR-UHFFFAOYSA-N
MW286.85 g/mol
LogP4.79
Rot. Bonds4

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

2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine (PubChem CID 107751336) has the molecular formula C12H15ClN2S2 and a molecular weight of 286.85 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine
PubChem CID107751336
Molecular FormulaC12H15ClN2S2
Molecular Weight286.85 g/mol
Exact Mass286.04
IUPAC Name2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(SCCC(C)C)nc(Cl)nc2s1
InChIInChI=1S/C12H15ClN2S2/c1-7(2)4-5-16-10-9-6-8(3)17-11(9)15-12(13)14-10/h6-7H,4-5H2,1-3H3
InChIKeyOHKWJYGDHOOZJR-UHFFFAOYSA-N
XLogP4.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765903
2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
CID 103323107
4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103322872
3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 103323096
2-chloro-6-methyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103321761
2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine
CID 103320276
2-chloro-6-methyl-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322498
2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine
CID 107751337
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-N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322754
4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309387

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine (CID 107751336) is 2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine is Cc1cc2c(SCCC(C)C)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine?
The InChIKey is OHKWJYGDHOOZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S2/c1-7(2)4-5-16-10-9-6-8(3)17-11(9)15-12(13)14-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine?
2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine has a molecular weight of 286.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 107751336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).