4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile

C15H16N6 — CID 163345546

IUPAC4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCc1ccnc(N2CCN(c3ccnc(C#N)c3)CC2)n1
InChIInChI=1S/C15H16N6/c1-12-2-4-18-15(19-12)21-8-6-20(7-9-21)14-3-5-17-13(10-14)11-16/h2-5,10H,6-9H2,1H3
InChIKeyJABZCXDVZGSEHZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.38
Rot. Bonds2

About 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile

4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 163345546) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID163345546
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCc1ccnc(N2CCN(c3ccnc(C#N)c3)CC2)n1
InChIInChI=1S/C15H16N6/c1-12-2-4-18-15(19-12)21-8-6-20(7-9-21)14-3-5-17-13(10-14)11-16/h2-5,10H,6-9H2,1H3
InChIKeyJABZCXDVZGSEHZ-UHFFFAOYSA-N
XLogP1.38
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-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-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 163345546) is 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile is Cc1ccnc(N2CCN(c3ccnc(C#N)c3)CC2)n1.
What is the InChIKey of 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is JABZCXDVZGSEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-12-2-4-18-15(19-12)21-8-6-20(7-9-21)14-3-5-17-13(10-14)11-16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 280.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 163345546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).