[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine

C12H10F3N3O — CID 64586060

IUPAC[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
SMILESNCc1ccc(Oc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)10-5-6-17-11(18-10)19-9-3-1-8(7-16)2-4-9/h1-6H,7,16H2
InChIKeyPRJPNESLCVWOLJ-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.75
Rot. Bonds3

About [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine

[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine (PubChem CID 64586060) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
PubChem CID64586060
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
SMILESNCc1ccc(Oc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)10-5-6-17-11(18-10)19-9-3-1-8(7-16)2-4-9/h1-6H,7,16H2
InChIKeyPRJPNESLCVWOLJ-UHFFFAOYSA-N
XLogP2.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine 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 [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine?
The IUPAC name of [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine (CID 64586060) is [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine.
What is the SMILES notation for [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine?
The canonical SMILES for [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine is NCc1ccc(Oc2nccc(C(F)(F)F)n2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine?
The InChIKey is PRJPNESLCVWOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)10-5-6-17-11(18-10)19-9-3-1-8(7-16)2-4-9/h1-6H,7,16H2.
What are the key properties of [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine?
[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine has a molecular weight of 269.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine is sourced from PubChem (CID 64586060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).