5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

C14H16N8 — CID 56926363

IUPAC5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCC(N)CC3)ncn2)cn1
InChIInChI=1S/C14H16N8/c15-6-11-7-18-13(8-17-11)21-12-5-14(20-9-19-12)22-3-1-10(16)2-4-22/h5,7-10H,1-4,16H2,(H,18,19,20,21)
InChIKeyAMVUHIZMUIPHNN-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.81
Rot. Bonds3

About 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 56926363) has the molecular formula C14H16N8 and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID56926363
Molecular FormulaC14H16N8
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCC(N)CC3)ncn2)cn1
InChIInChI=1S/C14H16N8/c15-6-11-7-18-13(8-17-11)21-12-5-14(20-9-19-12)22-3-1-10(16)2-4-22/h5,7-10H,1-4,16H2,(H,18,19,20,21)
InChIKeyAMVUHIZMUIPHNN-UHFFFAOYSA-N
XLogP0.81
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 56926363) is 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(N3CCC(N)CC3)ncn2)cn1.
What is the InChIKey of 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is AMVUHIZMUIPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8/c15-6-11-7-18-13(8-17-11)21-12-5-14(20-9-19-12)22-3-1-10(16)2-4-22/h5,7-10H,1-4,16H2,(H,18,19,20,21).
What are the key properties of 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 296.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 56926363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).