3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol

C16H11F3N4O — CID 22732508

IUPAC3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
SMILESOc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)13-9-14(21-11-2-1-3-12(24)8-11)23-15(22-13)10-4-6-20-7-5-10/h1-9,24H,(H,21,22,23)
InChIKeyLYFVGQPLRDLNCA-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.01
Rot. Bonds3

About 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol

3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol (PubChem CID 22732508) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
PubChem CID22732508
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
SMILESOc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)13-9-14(21-11-2-1-3-12(24)8-11)23-15(22-13)10-4-6-20-7-5-10/h1-9,24H,(H,21,22,23)
InChIKeyLYFVGQPLRDLNCA-UHFFFAOYSA-N
XLogP4.01
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol (CID 22732508) is 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol is Oc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
The InChIKey is LYFVGQPLRDLNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c17-16(18,19)13-9-14(21-11-2-1-3-12(24)8-11)23-15(22-13)10-4-6-20-7-5-10/h1-9,24H,(H,21,22,23).
What are the key properties of 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol has a molecular weight of 332.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 22732508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).