5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile

C13H17N7 — CID 102796779

IUPAC5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
SMILESCCN(C)c1nn(-c2cc(C)nc(C)n2)c(N)c1C#N
InChIInChI=1S/C13H17N7/c1-5-19(4)13-10(7-14)12(15)20(18-13)11-6-8(2)16-9(3)17-11/h6H,5,15H2,1-4H3
InChIKeyICNVDUDKYKBEJK-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.19
Rot. Bonds3

About 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile

5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile (PubChem CID 102796779) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
PubChem CID102796779
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
SMILESCCN(C)c1nn(-c2cc(C)nc(C)n2)c(N)c1C#N
InChIInChI=1S/C13H17N7/c1-5-19(4)13-10(7-14)12(15)20(18-13)11-6-8(2)16-9(3)17-11/h6H,5,15H2,1-4H3
InChIKeyICNVDUDKYKBEJK-UHFFFAOYSA-N
XLogP1.19
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile (CID 102796779) is 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile is CCN(C)c1nn(-c2cc(C)nc(C)n2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile?
The InChIKey is ICNVDUDKYKBEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-5-19(4)13-10(7-14)12(15)20(18-13)11-6-8(2)16-9(3)17-11/h6H,5,15H2,1-4H3.
What are the key properties of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile?
5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile has a molecular weight of 271.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 102796779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).