4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine

C14H21ClN2O — CID 55230431

IUPAC4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OC1CCC(C)CC1
InChIInChI=1S/C14H21ClN2O/c1-3-4-12-13(15)16-9-17-14(12)18-11-7-5-10(2)6-8-11/h9-11H,3-8H2,1-2H3
InChIKeySRDCXIWWSARGBG-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.04
Rot. Bonds4

About 4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine

4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine (PubChem CID 55230431) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine
PubChem CID55230431
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OC1CCC(C)CC1
InChIInChI=1S/C14H21ClN2O/c1-3-4-12-13(15)16-9-17-14(12)18-11-7-5-10(2)6-8-11/h9-11H,3-8H2,1-2H3
InChIKeySRDCXIWWSARGBG-UHFFFAOYSA-N
XLogP4.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(4-methylcyclohexyl)oxy-5-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-(4-methylcyclohexyl)oxy-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine (CID 55230431) is 4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine is CCCc1c(Cl)ncnc1OC1CCC(C)CC1.
What is the InChIKey of 4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine?
The InChIKey is SRDCXIWWSARGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-12-13(15)16-9-17-14(12)18-11-7-5-10(2)6-8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine?
4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine has a molecular weight of 268.79 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylcyclohexyl)oxy-5-propylpyrimidine is sourced from PubChem (CID 55230431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).