3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile

C9H9N7 — CID 102826166

IUPAC3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCc1cc(-n2nc(N)c(C#N)c2N)ncn1
InChIInChI=1S/C9H9N7/c1-5-2-7(14-4-13-5)16-9(12)6(3-10)8(11)15-16/h2,4H,12H2,1H3,(H2,11,15)
InChIKeyVOMBAYLLAWYZLA-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.01
Rot. Bonds1

About 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile

3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile (PubChem CID 102826166) has the molecular formula C9H9N7 and a molecular weight of 215.22 g/mol. Its IUPAC name is 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile
PubChem CID102826166
Molecular FormulaC9H9N7
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCc1cc(-n2nc(N)c(C#N)c2N)ncn1
InChIInChI=1S/C9H9N7/c1-5-2-7(14-4-13-5)16-9(12)6(3-10)8(11)15-16/h2,4H,12H2,1H3,(H2,11,15)
InChIKeyVOMBAYLLAWYZLA-UHFFFAOYSA-N
XLogP0.01
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile (CID 102826166) is 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile is Cc1cc(-n2nc(N)c(C#N)c2N)ncn1.
What is the InChIKey of 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The InChIKey is VOMBAYLLAWYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7/c1-5-2-7(14-4-13-5)16-9(12)6(3-10)8(11)15-16/h2,4H,12H2,1H3,(H2,11,15).
What are the key properties of 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile?
3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile has a molecular weight of 215.22 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102826166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).