[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine

C13H9F6N3 — CID 122490208

IUPAC[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine
SMILESNCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1C(F)(F)F
InChIInChI=1S/C13H9F6N3/c14-12(15,16)10-2-1-7(3-8(10)4-20)9-5-21-11(22-6-9)13(17,18)19/h1-3,5-6H,4,20H2
InChIKeyWXDZTLTYGXROTE-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.64
Rot. Bonds2

About [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine

[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine (PubChem CID 122490208) has the molecular formula C13H9F6N3 and a molecular weight of 321.22 g/mol. Its IUPAC name is [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine
PubChem CID122490208
Molecular FormulaC13H9F6N3
Molecular Weight321.22 g/mol
Exact Mass321.07
IUPAC Name[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine
SMILESNCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1C(F)(F)F
InChIInChI=1S/C13H9F6N3/c14-12(15,16)10-2-1-7(3-8(10)4-20)9-5-21-11(22-6-9)13(17,18)19/h1-3,5-6H,4,20H2
InChIKeyWXDZTLTYGXROTE-UHFFFAOYSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylquinolin-2-amine
CID 155540231
[5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
CID 122490195
[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine
CID 118008565
[6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 97058158
5-(5-ethyl-6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine
CID 122533054
[2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride
CID 122514953
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743
[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 107289712
[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 82004812
5-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one
CID 174796851
8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene
CID 173310828
3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
CID 46316213

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine?
The IUPAC name of [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine (CID 122490208) is [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine is NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine?
The InChIKey is WXDZTLTYGXROTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N3/c14-12(15,16)10-2-1-7(3-8(10)4-20)9-5-21-11(22-6-9)13(17,18)19/h1-3,5-6H,4,20H2.
What are the key properties of [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine?
[2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine has a molecular weight of 321.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methanamine is sourced from PubChem (CID 122490208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).