5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile

C13H14N8 — CID 42610561

IUPAC5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCNCC3)ncn2)cn1
InChIInChI=1S/C13H14N8/c14-6-10-7-17-12(8-16-10)20-11-5-13(19-9-18-11)21-3-1-15-2-4-21/h5,7-9,15H,1-4H2,(H,17,18,19,20)
InChIKeyVUIYZWJEDNHICB-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.29
Rot. Bonds3

About 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile

5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile (PubChem CID 42610561) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile
PubChem CID42610561
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCNCC3)ncn2)cn1
InChIInChI=1S/C13H14N8/c14-6-10-7-17-12(8-16-10)20-11-5-13(19-9-18-11)21-3-1-15-2-4-21/h5,7-9,15H,1-4H2,(H,17,18,19,20)
InChIKeyVUIYZWJEDNHICB-UHFFFAOYSA-N
XLogP0.29
TPSA102.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile (CID 42610561) is 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(N3CCNCC3)ncn2)cn1.
What is the InChIKey of 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is VUIYZWJEDNHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c14-6-10-7-17-12(8-16-10)20-11-5-13(19-9-18-11)21-3-1-15-2-4-21/h5,7-9,15H,1-4H2,(H,17,18,19,20).
What are the key properties of 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile?
5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 282.31 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).