[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine

C13H12F3N3O — CID 174335229

IUPAC[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)c(OCc2cncnc2)c1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-2-1-9(4-17)3-12(11)20-7-10-5-18-8-19-6-10/h1-3,5-6,8H,4,7,17H2
InChIKeyILQWBCOOENUDFC-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.53
Rot. Bonds4

About [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine

[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 174335229) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine
PubChem CID174335229
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)c(OCc2cncnc2)c1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-2-1-9(4-17)3-12(11)20-7-10-5-18-8-19-6-10/h1-3,5-6,8H,4,7,17H2
InChIKeyILQWBCOOENUDFC-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 174335230
[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 63319479
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
4-[[5-bromo-2-(trifluoromethyl)phenoxy]methyl]aniline
CID 107286696
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
[4-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508465
[3-[4-[4-[5-(aminomethyl)-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-4-(2-fluoropropan-2-yl)phenyl]methanamine
CID 143935138
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
tert-butyl N-[4-[[5-(aminomethyl)-2-(trifluoromethyl)phenoxy]methyl]-2-methanimidoylphenyl]carbamate
CID 174333432
[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468310
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 63320237

Frequently Asked Questions

What is the IUPAC name of [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine (CID 174335229) is [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine is NCc1ccc(C(F)(F)F)c(OCc2cncnc2)c1.
What is the InChIKey of [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ILQWBCOOENUDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)11-2-1-9(4-17)3-12(11)20-7-10-5-18-8-19-6-10/h1-3,5-6,8H,4,7,17H2.
What are the key properties of [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine?
[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 174335229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).