5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile

C10H10N6 — CID 79822220

IUPAC5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCc1cc(-n2ncc(C#N)c2N)nc(C)n1
InChIInChI=1S/C10H10N6/c1-6-3-9(15-7(2)14-6)16-10(12)8(4-11)5-13-16/h3,5H,12H2,1-2H3
InChIKeyFNUURYBPDGLQFO-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.73
Rot. Bonds1

About 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile

5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile (PubChem CID 79822220) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile
PubChem CID79822220
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESCc1cc(-n2ncc(C#N)c2N)nc(C)n1
InChIInChI=1S/C10H10N6/c1-6-3-9(15-7(2)14-6)16-10(12)8(4-11)5-13-16/h3,5H,12H2,1-2H3
InChIKeyFNUURYBPDGLQFO-UHFFFAOYSA-N
XLogP0.73
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile (CID 79822220) is 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile is Cc1cc(-n2ncc(C#N)c2N)nc(C)n1.
What is the InChIKey of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile?
The InChIKey is FNUURYBPDGLQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-6-3-9(15-7(2)14-6)16-10(12)8(4-11)5-13-16/h3,5H,12H2,1-2H3.
What are the key properties of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile?
5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 79822220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).