2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine

C17H16N8 — CID 72945319

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Nc3ccccn3)cc(-n3cccn3)n2)n1
InChIInChI=1S/C17H16N8/c1-12-10-13(2)25(23-12)17-21-15(20-14-6-3-4-7-18-14)11-16(22-17)24-9-5-8-19-24/h3-11H,1-2H3,(H,18,20,21,22)
InChIKeyCNOYBTGZJIXBKI-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.60
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 72945319) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID72945319
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Nc3ccccn3)cc(-n3cccn3)n2)n1
InChIInChI=1S/C17H16N8/c1-12-10-13(2)25(23-12)17-21-15(20-14-6-3-4-7-18-14)11-16(22-17)24-9-5-8-19-24/h3-11H,1-2H3,(H,18,20,21,22)
InChIKeyCNOYBTGZJIXBKI-UHFFFAOYSA-N
XLogP2.60
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine (CID 72945319) is 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine is Cc1cc(C)n(-c2nc(Nc3ccccn3)cc(-n3cccn3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is CNOYBTGZJIXBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c1-12-10-13(2)25(23-12)17-21-15(20-14-6-3-4-7-18-14)11-16(22-17)24-9-5-8-19-24/h3-11H,1-2H3,(H,18,20,21,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 72945319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).