[2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate

C19H28N2O2 — CID 21359951

IUPAC[2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Oc2cnc(C3CCC(C)CC3)nc2)CC1
InChIInChI=1S/C19H28N2O2/c1-13-3-7-15(8-4-13)18-20-11-17(12-21-18)23-19(22)16-9-5-14(2)6-10-16/h11-16H,3-10H2,1-2H3
InChIKeyCWPJUGVUOCGNCU-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.50
Rot. Bonds3

About [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate

[2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate (PubChem CID 21359951) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate
PubChem CID21359951
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Oc2cnc(C3CCC(C)CC3)nc2)CC1
InChIInChI=1S/C19H28N2O2/c1-13-3-7-15(8-4-13)18-20-11-17(12-21-18)23-19(22)16-9-5-14(2)6-10-16/h11-16H,3-10H2,1-2H3
InChIKeyCWPJUGVUOCGNCU-UHFFFAOYSA-N
XLogP4.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate 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 [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate?
The IUPAC name of [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate (CID 21359951) is [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate?
The canonical SMILES for [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate is CC1CCC(C(=O)Oc2cnc(C3CCC(C)CC3)nc2)CC1.
What is the InChIKey of [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate?
The InChIKey is CWPJUGVUOCGNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-3-7-15(8-4-13)18-20-11-17(12-21-18)23-19(22)16-9-5-14(2)6-10-16/h11-16H,3-10H2,1-2H3.
What are the key properties of [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate?
[2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate has a molecular weight of 316.44 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylcyclohexyl)pyrimidin-5-yl] 4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 21359951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).