2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile

C14H19N3 — CID 129014495

IUPAC2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile
SMILESCC1CCC(CCc2ncc(C#N)cn2)CC1
InChIInChI=1S/C14H19N3/c1-11-2-4-12(5-3-11)6-7-14-16-9-13(8-15)10-17-14/h9-12H,2-7H2,1H3
InChIKeyZQPZYOGVFBMHCU-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.11
Rot. Bonds3

About 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile

2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile (PubChem CID 129014495) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile
PubChem CID129014495
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile
SMILESCC1CCC(CCc2ncc(C#N)cn2)CC1
InChIInChI=1S/C14H19N3/c1-11-2-4-12(5-3-11)6-7-14-16-9-13(8-15)10-17-14/h9-12H,2-7H2,1H3
InChIKeyZQPZYOGVFBMHCU-UHFFFAOYSA-N
XLogP3.11
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile 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-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile (CID 129014495) is 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile is CC1CCC(CCc2ncc(C#N)cn2)CC1.
What is the InChIKey of 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile?
The InChIKey is ZQPZYOGVFBMHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-2-4-12(5-3-11)6-7-14-16-9-13(8-15)10-17-14/h9-12H,2-7H2,1H3.
What are the key properties of 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile?
2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 129014495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).