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

C12H17ClN2S — CID 63731234

IUPAC4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(SC2CCCCC2)n1
InChIInChI=1S/C12H17ClN2S/c1-8-11(13)14-9(2)15-12(8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3
InChIKeyXWAVGRLPRIMQEE-UHFFFAOYSA-N
MW256.80 g/mol
LogP4.17
Rot. Bonds2

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

4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine (PubChem CID 63731234) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine
PubChem CID63731234
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(SC2CCCCC2)n1
InChIInChI=1S/C12H17ClN2S/c1-8-11(13)14-9(2)15-12(8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3
InChIKeyXWAVGRLPRIMQEE-UHFFFAOYSA-N
XLogP4.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine (CID 63731234) is 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(SC2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine?
The InChIKey is XWAVGRLPRIMQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-8-11(13)14-9(2)15-12(8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3.
What are the key properties of 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine?
4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine has a molecular weight of 256.80 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclohexylsulfanyl-2,5-dimethylpyrimidine is sourced from PubChem (CID 63731234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).