4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile

C14H14N6 — CID 47092348

IUPAC4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(c3ncccn3)CC2)ccn1
InChIInChI=1S/C14H14N6/c15-11-12-10-13(2-5-16-12)19-6-8-20(9-7-19)14-17-3-1-4-18-14/h1-5,10H,6-9H2
InChIKeyCDXMVHJCACSWJH-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.07
Rot. Bonds2

About 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile

4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 47092348) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
PubChem CID47092348
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(c3ncccn3)CC2)ccn1
InChIInChI=1S/C14H14N6/c15-11-12-10-13(2-5-16-12)19-6-8-20(9-7-19)14-17-3-1-4-18-14/h1-5,10H,6-9H2
InChIKeyCDXMVHJCACSWJH-UHFFFAOYSA-N
XLogP1.07
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile (CID 47092348) is 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile is N#Cc1cc(N2CCN(c3ncccn3)CC2)ccn1.
What is the InChIKey of 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile?
The InChIKey is CDXMVHJCACSWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-11-12-10-13(2-5-16-12)19-6-8-20(9-7-19)14-17-3-1-4-18-14/h1-5,10H,6-9H2.
What are the key properties of 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile?
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 266.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 47092348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).