4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine

C15H21ClN2O — CID 116745914

IUPAC4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CC3)n2)CCCC(C)C1
InChIInChI=1S/C15H21ClN2O/c1-10-4-3-7-15(9-10,19-2)14-17-12(11-5-6-11)8-13(16)18-14/h8,10-11H,3-7,9H2,1-2H3
InChIKeyBGNCXGHVCXHYTG-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.06
Rot. Bonds3

About 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine

4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine (PubChem CID 116745914) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
PubChem CID116745914
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
SMILESCOC1(c2nc(Cl)cc(C3CC3)n2)CCCC(C)C1
InChIInChI=1S/C15H21ClN2O/c1-10-4-3-7-15(9-10,19-2)14-17-12(11-5-6-11)8-13(16)18-14/h8,10-11H,3-7,9H2,1-2H3
InChIKeyBGNCXGHVCXHYTG-UHFFFAOYSA-N
XLogP4.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine 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-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine (CID 116745914) is 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine is COC1(c2nc(Cl)cc(C3CC3)n2)CCCC(C)C1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine?
The InChIKey is BGNCXGHVCXHYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-4-3-7-15(9-10,19-2)14-17-12(11-5-6-11)8-13(16)18-14/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine?
4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine has a molecular weight of 280.80 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 116745914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).