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

C17H12F3N3O2 — CID 135960805

IUPAC2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol
SMILESNc1ncc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccccc2O)n1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)13-9-22-16(21)23-15(13)12-3-1-2-4-14(12)24/h1-9,24H,(H2,21,22,23)
InChIKeyIOZRTMSKGLTDCG-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.00
Rot. Bonds3

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

2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol (PubChem CID 135960805) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol
PubChem CID135960805
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol
SMILESNc1ncc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccccc2O)n1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)13-9-22-16(21)23-15(13)12-3-1-2-4-14(12)24/h1-9,24H,(H2,21,22,23)
InChIKeyIOZRTMSKGLTDCG-UHFFFAOYSA-N
XLogP4.00
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol (CID 135960805) is 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol is Nc1ncc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol?
The InChIKey is IOZRTMSKGLTDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)13-9-22-16(21)23-15(13)12-3-1-2-4-14(12)24/h1-9,24H,(H2,21,22,23).
What are the key properties of 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol?
2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol has a molecular weight of 347.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).