[4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine

C13H12F3N3O — CID 115468319

IUPAC[4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(Oc2ccc(CN)cc2C(F)(F)F)ncn1
InChIInChI=1S/C13H12F3N3O/c1-8-4-12(19-7-18-8)20-11-3-2-9(6-17)5-10(11)13(14,15)16/h2-5,7H,6,17H2,1H3
InChIKeyAADIBTPMCLEUOG-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.05
Rot. Bonds3

About [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine

[4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 115468319) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
PubChem CID115468319
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name[4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(Oc2ccc(CN)cc2C(F)(F)F)ncn1
InChIInChI=1S/C13H12F3N3O/c1-8-4-12(19-7-18-8)20-11-3-2-9(6-17)5-10(11)13(14,15)16/h2-5,7H,6,17H2,1H3
InChIKeyAADIBTPMCLEUOG-UHFFFAOYSA-N
XLogP3.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468322
[4-pyridin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468298
[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 106550477
[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine
CID 106504792
[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468310
[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine
CID 115468303
[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 63319479
[4-(3-ethoxypropoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 65175971
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63319742
2-methyl-3-(6-methylpyrimidin-4-yl)oxyaniline
CID 61226507
[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63484790
2-methyl-3-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224160

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine (CID 115468319) is [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine is Cc1cc(Oc2ccc(CN)cc2C(F)(F)F)ncn1.
What is the InChIKey of [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AADIBTPMCLEUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-8-4-12(19-7-18-8)20-11-3-2-9(6-17)5-10(11)13(14,15)16/h2-5,7H,6,17H2,1H3.
What are the key properties of [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
[4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115468319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).