2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile

C10H13N5 — CID 22688903

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
SMILESN#CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H13N5/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10/h1,3-4H,5-9H2
InChIKeyGNHNLTWAAXUZQJ-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.12
Rot. Bonds2

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile

2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile (PubChem CID 22688903) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
PubChem CID22688903
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
SMILESN#CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H13N5/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10/h1,3-4H,5-9H2
InChIKeyGNHNLTWAAXUZQJ-UHFFFAOYSA-N
XLogP0.12
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile 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-pyrimidin-2-ylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile (CID 22688903) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile is N#CCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile?
The InChIKey is GNHNLTWAAXUZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10/h1,3-4H,5-9H2.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile?
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 22688903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).