4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine

C14H21ClN2S — CID 80946262

IUPAC4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(SC2CCCC(C)C2)n1
InChIInChI=1S/C14H21ClN2S/c1-3-5-13-16-12(15)9-14(17-13)18-11-7-4-6-10(2)8-11/h9-11H,3-8H2,1-2H3
InChIKeyFISLOHUFVJWMSN-UHFFFAOYSA-N
MW284.86 g/mol
LogP4.75
Rot. Bonds4

About 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine

4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine (PubChem CID 80946262) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine
PubChem CID80946262
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(SC2CCCC(C)C2)n1
InChIInChI=1S/C14H21ClN2S/c1-3-5-13-16-12(15)9-14(17-13)18-11-7-4-6-10(2)8-11/h9-11H,3-8H2,1-2H3
InChIKeyFISLOHUFVJWMSN-UHFFFAOYSA-N
XLogP4.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine 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-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine (CID 80946262) is 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine is CCCc1nc(Cl)cc(SC2CCCC(C)C2)n1.
What is the InChIKey of 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine?
The InChIKey is FISLOHUFVJWMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c1-3-5-13-16-12(15)9-14(17-13)18-11-7-4-6-10(2)8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine?
4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine has a molecular weight of 284.86 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine is sourced from PubChem (CID 80946262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).