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

C13H16N8 — CID 25221938

IUPAC5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCCCCN)ncn2)cn1
InChIInChI=1S/C13H16N8/c14-3-1-2-4-16-11-5-12(20-9-19-11)21-13-8-17-10(6-15)7-18-13/h5,7-9H,1-4,14H2,(H2,16,18,19,20,21)
InChIKeyDULCHLIZXSYMTD-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.03
Rot. Bonds7

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

5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 25221938) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID25221938
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCCCCN)ncn2)cn1
InChIInChI=1S/C13H16N8/c14-3-1-2-4-16-11-5-12(20-9-19-11)21-13-8-17-10(6-15)7-18-13/h5,7-9H,1-4,14H2,(H2,16,18,19,20,21)
InChIKeyDULCHLIZXSYMTD-UHFFFAOYSA-N
XLogP1.03
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 25221938) is 5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCCCCN)ncn2)cn1.
What is the InChIKey of 5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is DULCHLIZXSYMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c14-3-1-2-4-16-11-5-12(20-9-19-11)21-13-8-17-10(6-15)7-18-13/h5,7-9H,1-4,14H2,(H2,16,18,19,20,21).
What are the key properties of 5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 284.33 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 25221938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).