4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile

C17H26N6 — CID 131908435

IUPAC4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCCC2CCCCN2C2CCCC2)nc1N
InChIInChI=1S/C17H26N6/c18-11-13-12-21-17(22-16(13)19)20-9-8-15-7-3-4-10-23(15)14-5-1-2-6-14/h12,14-15H,1-10H2,(H3,19,20,21,22)
InChIKeyOMXWTIFMUPBUDG-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.53
Rot. Bonds5

About 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile

4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 131908435) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID131908435
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCCC2CCCCN2C2CCCC2)nc1N
InChIInChI=1S/C17H26N6/c18-11-13-12-21-17(22-16(13)19)20-9-8-15-7-3-4-10-23(15)14-5-1-2-6-14/h12,14-15H,1-10H2,(H3,19,20,21,22)
InChIKeyOMXWTIFMUPBUDG-UHFFFAOYSA-N
XLogP2.53
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]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 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile (CID 131908435) is 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile is N#Cc1cnc(NCCC2CCCCN2C2CCCC2)nc1N.
What is the InChIKey of 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is OMXWTIFMUPBUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c18-11-13-12-21-17(22-16(13)19)20-9-8-15-7-3-4-10-23(15)14-5-1-2-6-14/h12,14-15H,1-10H2,(H3,19,20,21,22).
What are the key properties of 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 314.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 131908435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).