2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine

C14H17ClN2S2 — CID 103323023

IUPAC2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(SC3CCCC(C)C3)nc(Cl)nc2s1
InChIInChI=1S/C14H17ClN2S2/c1-8-4-3-5-10(6-8)19-13-11-7-9(2)18-12(11)16-14(15)17-13/h7-8,10H,3-6H2,1-2H3
InChIKeyJGFKXJOOHIWWGC-UHFFFAOYSA-N
MW312.89 g/mol
LogP5.32
Rot. Bonds2

About 2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine

2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 103323023) has the molecular formula C14H17ClN2S2 and a molecular weight of 312.89 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID103323023
Molecular FormulaC14H17ClN2S2
Molecular Weight312.89 g/mol
Exact Mass312.05
IUPAC Name2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(SC3CCCC(C)C3)nc(Cl)nc2s1
InChIInChI=1S/C14H17ClN2S2/c1-8-4-3-5-10(6-8)19-13-11-7-9(2)18-12(11)16-14(15)17-13/h7-8,10H,3-6H2,1-2H3
InChIKeyJGFKXJOOHIWWGC-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.89
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methyl-4-(3-methylcyclohexyl)sulfanylpyrimidine
CID 79073826
4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334576
4-chloro-2-methyl-6-(3-methylcyclohexyl)sulfanylpyrimidine
CID 62722977
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
5-methyl-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 62721519
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-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322626
2-chloro-N-(cyclobutylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103321547
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322044
2-chloro-4-methoxy-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazine
CID 55124271

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine (CID 103323023) is 2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine is Cc1cc2c(SC3CCCC(C)C3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is JGFKXJOOHIWWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S2/c1-8-4-3-5-10(6-8)19-13-11-7-9(2)18-12(11)16-14(15)17-13/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine?
2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 312.89 g/mol, XLogP of 5.32, 2 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-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103323023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).