5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

C12H14N8 — CID 42610564

IUPAC5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCCCN)ncn2)cn1
InChIInChI=1S/C12H14N8/c13-2-1-3-15-10-4-11(19-8-18-10)20-12-7-16-9(5-14)6-17-12/h4,6-8H,1-3,13H2,(H2,15,17,18,19,20)
InChIKeySKITZWDMFBMCLT-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.64
Rot. Bonds6

About 5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 42610564) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID42610564
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCCCN)ncn2)cn1
InChIInChI=1S/C12H14N8/c13-2-1-3-15-10-4-11(19-8-18-10)20-12-7-16-9(5-14)6-17-12/h4,6-8H,1-3,13H2,(H2,15,17,18,19,20)
InChIKeySKITZWDMFBMCLT-UHFFFAOYSA-N
XLogP0.64
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.64
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-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 42610564) is 5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCCCN)ncn2)cn1.
What is the InChIKey of 5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is SKITZWDMFBMCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c13-2-1-3-15-10-4-11(19-8-18-10)20-12-7-16-9(5-14)6-17-12/h4,6-8H,1-3,13H2,(H2,15,17,18,19,20).
What are the key properties of 5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(3-aminopropylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).