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

C11H12N8 — CID 42610563

IUPAC5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCCN)ncn2)cn1
InChIInChI=1S/C11H12N8/c12-1-2-14-9-3-10(18-7-17-9)19-11-6-15-8(4-13)5-16-11/h3,5-7H,1-2,12H2,(H2,14,16,17,18,19)
InChIKeyABTXHYNTCSODLN-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.25
Rot. Bonds5

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

5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 42610563) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID42610563
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCCN)ncn2)cn1
InChIInChI=1S/C11H12N8/c12-1-2-14-9-3-10(18-7-17-9)19-11-6-15-8(4-13)5-16-11/h3,5-7H,1-2,12H2,(H2,14,16,17,18,19)
InChIKeyABTXHYNTCSODLN-UHFFFAOYSA-N
XLogP0.25
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 42610563) is 5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCCN)ncn2)cn1.
What is the InChIKey of 5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is ABTXHYNTCSODLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8/c12-1-2-14-9-3-10(18-7-17-9)19-11-6-15-8(4-13)5-16-11/h3,5-7H,1-2,12H2,(H2,14,16,17,18,19).
What are the key properties of 5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 256.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-aminoethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).