4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine

C11H15ClN2S — CID 63731035

IUPAC4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(SC2CCCC2)n1
InChIInChI=1S/C11H15ClN2S/c1-7-10(12)13-8(2)14-11(7)15-9-5-3-4-6-9/h9H,3-6H2,1-2H3
InChIKeyKWKOFJQYUGQLGU-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.78
Rot. Bonds2

About 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine

4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine (PubChem CID 63731035) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine
PubChem CID63731035
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(SC2CCCC2)n1
InChIInChI=1S/C11H15ClN2S/c1-7-10(12)13-8(2)14-11(7)15-9-5-3-4-6-9/h9H,3-6H2,1-2H3
InChIKeyKWKOFJQYUGQLGU-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine (CID 63731035) is 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(SC2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine?
The InChIKey is KWKOFJQYUGQLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-7-10(12)13-8(2)14-11(7)15-9-5-3-4-6-9/h9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine?
4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine has a molecular weight of 242.77 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentylsulfanyl-2,5-dimethylpyrimidine is sourced from PubChem (CID 63731035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).