(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine

C13H12F3N3O — CID 115530155

IUPAC(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1nccc(C(N)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-8-18-7-6-10(19-8)12(17)9-4-2-3-5-11(9)20-13(14,15)16/h2-7,12H,17H2,1H3
InChIKeyCCIJPBPSUVUZKJ-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.73
Rot. Bonds3

About (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine

(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115530155) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID115530155
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1nccc(C(N)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-8-18-7-6-10(19-8)12(17)9-4-2-3-5-11(9)20-13(14,15)16/h2-7,12H,17H2,1H3
InChIKeyCCIJPBPSUVUZKJ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530464
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 106691908
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850885
(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 115527988
(2-methylpyrimidin-4-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115527943
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 43559371
(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 62790847
(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 106756171
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine (CID 115530155) is (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine is Cc1nccc(C(N)c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is CCIJPBPSUVUZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-8-18-7-6-10(19-8)12(17)9-4-2-3-5-11(9)20-13(14,15)16/h2-7,12H,17H2,1H3.
What are the key properties of (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 283.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115530155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).