(2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride

C18H27ClN2O2 — CID 22155879

IUPAC(2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride
SMILESCc1ncc(OC(=O)C2(C3CCCCC3)CCCCC2)cn1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-14-19-12-16(13-20-14)22-17(21)18(10-6-3-7-11-18)15-8-4-2-5-9-15;/h12-13,15H,2-11H2,1H3;1H
InChIKeyURJTWRRYVWTOOE-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.64
Rot. Bonds3

About (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride

(2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride (PubChem CID 22155879) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride
PubChem CID22155879
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name(2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride
SMILESCc1ncc(OC(=O)C2(C3CCCCC3)CCCCC2)cn1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-14-19-12-16(13-20-14)22-17(21)18(10-6-3-7-11-18)15-8-4-2-5-9-15;/h12-13,15H,2-11H2,1H3;1H
InChIKeyURJTWRRYVWTOOE-UHFFFAOYSA-N
XLogP4.64
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride 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-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride (CID 22155879) is (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride is Cc1ncc(OC(=O)C2(C3CCCCC3)CCCCC2)cn1.Cl.
What is the InChIKey of (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride?
The InChIKey is URJTWRRYVWTOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-14-19-12-16(13-20-14)22-17(21)18(10-6-3-7-11-18)15-8-4-2-5-9-15;/h12-13,15H,2-11H2,1H3;1H.
What are the key properties of (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride?
(2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl) 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 22155879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).