4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine

C11H15ClN2S — CID 65139777

IUPAC4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine
SMILESClc1ccnc(CSC2CCCCC2)n1
InChIInChI=1S/C11H15ClN2S/c12-10-6-7-13-11(14-10)8-15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyJUGVZTMGNFSALD-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine

4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine (PubChem CID 65139777) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine
PubChem CID65139777
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine
SMILESClc1ccnc(CSC2CCCCC2)n1
InChIInChI=1S/C11H15ClN2S/c12-10-6-7-13-11(14-10)8-15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyJUGVZTMGNFSALD-UHFFFAOYSA-N
XLogP3.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine (CID 65139777) is 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine is Clc1ccnc(CSC2CCCCC2)n1.
What is the InChIKey of 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine?
The InChIKey is JUGVZTMGNFSALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c12-10-6-7-13-11(14-10)8-15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine?
4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine has a molecular weight of 242.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 65139777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).