N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine

C16H14F3N5O — CID 138038755

IUPACN,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(Oc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C16H14F3N5O/c1-23(2)14-10-13(16(17,18)19)21-15(22-14)25-12-6-4-11(5-7-12)24-9-3-8-20-24/h3-10H,1-2H3
InChIKeyNVDRIVFHIBUYGY-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.54
Rot. Bonds4

About N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 138038755) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID138038755
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC NameN,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(Oc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C16H14F3N5O/c1-23(2)14-10-13(16(17,18)19)21-15(22-14)25-12-6-4-11(5-7-12)24-9-3-8-20-24/h3-10H,1-2H3
InChIKeyNVDRIVFHIBUYGY-UHFFFAOYSA-N
XLogP3.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine (CID 138038755) is N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(C(F)(F)F)nc(Oc2ccc(-n3cccn3)cc2)n1.
What is the InChIKey of N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NVDRIVFHIBUYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-23(2)14-10-13(16(17,18)19)21-15(22-14)25-12-6-4-11(5-7-12)24-9-3-8-20-24/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 349.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-pyrazol-1-ylphenoxy)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 138038755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).