2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine

C11H8F3N7 — CID 53468869

IUPAC2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(-n2cccn2)c1C(F)(F)F
InChIInChI=1S/C11H8F3N7/c12-11(13,14)7-8(15)18-10(21-6-2-4-17-21)19-9(7)20-5-1-3-16-20/h1-6H,(H2,15,18,19)
InChIKeyJZODJYCVJSQZCJ-UHFFFAOYSA-N
MW295.23 g/mol
LogP1.45
Rot. Bonds2

About 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine

2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 53468869) has the molecular formula C11H8F3N7 and a molecular weight of 295.23 g/mol. Its IUPAC name is 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID53468869
Molecular FormulaC11H8F3N7
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC Name2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(-n2cccn2)nc(-n2cccn2)c1C(F)(F)F
InChIInChI=1S/C11H8F3N7/c12-11(13,14)7-8(15)18-10(21-6-2-4-17-21)19-9(7)20-5-1-3-16-20/h1-6H,(H2,15,18,19)
InChIKeyJZODJYCVJSQZCJ-UHFFFAOYSA-N
XLogP1.45
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 53468869) is 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine is Nc1nc(-n2cccn2)nc(-n2cccn2)c1C(F)(F)F.
What is the InChIKey of 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JZODJYCVJSQZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N7/c12-11(13,14)7-8(15)18-10(21-6-2-4-17-21)19-9(7)20-5-1-3-16-20/h1-6H,(H2,15,18,19).
What are the key properties of 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 295.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(pyrazol-1-yl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 53468869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).