2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine

C14H22N4 — CID 2845194

IUPAC2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine
SMILESCC1CCC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H22N4/c1-12-3-4-13(11-12)17-7-9-18(10-8-17)14-15-5-2-6-16-14/h2,5-6,12-13H,3-4,7-11H2,1H3
InChIKeyGFQJDDJRQNGHJG-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.79
Rot. Bonds2

About 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine

2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine (PubChem CID 2845194) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine
PubChem CID2845194
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine
SMILESCC1CCC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H22N4/c1-12-3-4-13(11-12)17-7-9-18(10-8-17)14-15-5-2-6-16-14/h2,5-6,12-13H,3-4,7-11H2,1H3
InChIKeyGFQJDDJRQNGHJG-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-methylcyclopentyl)piperazin-1-yl]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 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine (CID 2845194) is 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine is CC1CCC(N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine?
The InChIKey is GFQJDDJRQNGHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12-3-4-13(11-12)17-7-9-18(10-8-17)14-15-5-2-6-16-14/h2,5-6,12-13H,3-4,7-11H2,1H3.
What are the key properties of 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine?
2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 2845194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).