N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline

C12H10F3N3 — CID 62698775

IUPACN-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCc2ncccn2)c1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)9-3-1-4-10(7-9)18-8-11-16-5-2-6-17-11/h1-7,18H,8H2
InChIKeyGNESGTYTQPKCNQ-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.11
Rot. Bonds3

About N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline

N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 62698775) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
PubChem CID62698775
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC NameN-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCc2ncccn2)c1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)9-3-1-4-10(7-9)18-8-11-16-5-2-6-17-11/h1-7,18H,8H2
InChIKeyGNESGTYTQPKCNQ-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 82539157
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-[(4-propan-2-ylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 29270698
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 81143843
N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 106885045
3-[[3-(trifluoromethyl)anilino]methyl]benzoic acid
CID 82095988
N-(6-bromoquinolin-4-yl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 154558825

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline (CID 62698775) is N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NCc2ncccn2)c1.
What is the InChIKey of N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is GNESGTYTQPKCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)9-3-1-4-10(7-9)18-8-11-16-5-2-6-17-11/h1-7,18H,8H2.
What are the key properties of N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline?
N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 253.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 62698775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).