[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine

C12H10F3N3O — CID 115468310

IUPAC[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(Oc2ncccn2)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-6-8(7-16)2-3-10(9)19-11-17-4-1-5-18-11/h1-6H,7,16H2
InChIKeyNUCRYYACFSKKDP-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.75
Rot. Bonds3

About [4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine

[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 115468310) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is [4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
PubChem CID115468310
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(Oc2ncccn2)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-6-8(7-16)2-3-10(9)19-11-17-4-1-5-18-11/h1-6H,7,16H2
InChIKeyNUCRYYACFSKKDP-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

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Related Compounds

[4-pyridin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468298
[4-(6-methylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468319
[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine
CID 106504792
[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468322
2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
CID 63320510
[4-(5-methylpyridazin-3-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
CID 106550477
[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine
CID 115468303
[4-(3-ethoxypropoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 65175971
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63319742
[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 63319479
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
[4-iodo-3-(trifluoromethyl)phenyl]methanamine
CID 53414331

Frequently Asked Questions

What is the IUPAC name of [4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine (CID 115468310) is [4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine is NCc1ccc(Oc2ncccn2)c(C(F)(F)F)c1.
What is the InChIKey of [4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is NUCRYYACFSKKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)9-6-8(7-16)2-3-10(9)19-11-17-4-1-5-18-11/h1-6H,7,16H2.
What are the key properties of [4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine?
[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]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-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115468310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).