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

C17H12F3N3O — CID 129010750

IUPAC4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol
SMILESOc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)15-8-9-21-16(23-15)22-13-3-1-2-12(10-13)11-4-6-14(24)7-5-11/h1-10,24H,(H,21,22,23)
InChIKeyDVMWYIPBBWSVLM-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.61
Rot. Bonds3

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

4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol (PubChem CID 129010750) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol.

Molecular Properties

Compound Name4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol
PubChem CID129010750
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol
SMILESOc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)15-8-9-21-16(23-15)22-13-3-1-2-12(10-13)11-4-6-14(24)7-5-11/h1-10,24H,(H,21,22,23)
InChIKeyDVMWYIPBBWSVLM-UHFFFAOYSA-N
XLogP4.61
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
CID 118307643
3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 129010764
1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 118307519
1-methyl-5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridin-2-one
CID 118092635
3-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]propanoic acid
CID 118092554
[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
CID 154462205
N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586478
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157362414
2,2-difluoro-1-phenyl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol
CID 67432011
1-pyrazin-2-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol
CID 67430727
methyl 3-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoate
CID 90041495
3-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]phenol
CID 170970775

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol?
The IUPAC name of 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol (CID 129010750) is 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol.
What is the SMILES notation for 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol?
The canonical SMILES for 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol is Oc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1.
What is the InChIKey of 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol?
The InChIKey is DVMWYIPBBWSVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)15-8-9-21-16(23-15)22-13-3-1-2-12(10-13)11-4-6-14(24)7-5-11/h1-10,24H,(H,21,22,23).
What are the key properties of 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol?
4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol has a molecular weight of 331.30 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol is sourced from PubChem (CID 129010750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).