2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol

C17H12F3N3O — CID 135960798

IUPAC2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol
SMILESNc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2O)n1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)11-5-3-4-10(8-11)13-9-22-16(21)23-15(13)12-6-1-2-7-14(12)24/h1-9,24H,(H2,21,22,23)
InChIKeyIYGROXCZGPBSTL-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.12
Rot. Bonds2

About 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol

2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol (PubChem CID 135960798) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol
PubChem CID135960798
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol
SMILESNc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2O)n1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)11-5-3-4-10(8-11)13-9-22-16(21)23-15(13)12-6-1-2-7-14(12)24/h1-9,24H,(H2,21,22,23)
InChIKeyIYGROXCZGPBSTL-UHFFFAOYSA-N
XLogP4.12
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol (CID 135960798) is 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol is Nc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol?
The InChIKey is IYGROXCZGPBSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)11-5-3-4-10(8-11)13-9-22-16(21)23-15(13)12-6-1-2-7-14(12)24/h1-9,24H,(H2,21,22,23).
What are the key properties of 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol?
2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol has a molecular weight of 331.30 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).