1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile

C12H15N5 — CID 163378535

IUPAC1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cnc(N3CCNCC3)nc2)CC1
InChIInChI=1S/C12H15N5/c13-9-12(1-2-12)10-7-15-11(16-8-10)17-5-3-14-4-6-17/h7-8,14H,1-6H2
InChIKeyJVJWAMXUDQELAM-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.44
Rot. Bonds2

About 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile

1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile (PubChem CID 163378535) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile
PubChem CID163378535
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cnc(N3CCNCC3)nc2)CC1
InChIInChI=1S/C12H15N5/c13-9-12(1-2-12)10-7-15-11(16-8-10)17-5-3-14-4-6-17/h7-8,14H,1-6H2
InChIKeyJVJWAMXUDQELAM-UHFFFAOYSA-N
XLogP0.44
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-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 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile (CID 163378535) is 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile is N#CC1(c2cnc(N3CCNCC3)nc2)CC1.
What is the InChIKey of 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile?
The InChIKey is JVJWAMXUDQELAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-9-12(1-2-12)10-7-15-11(16-8-10)17-5-3-14-4-6-17/h7-8,14H,1-6H2.
What are the key properties of 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile?
1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile has a molecular weight of 229.29 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylpyrimidin-5-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 163378535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).