2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H13F3N4 — CID 102717377

IUPAC2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NCc2cccnc2)n1
InChIInChI=1S/C13H13F3N4/c1-17-11-5-10(13(14,15)16)6-12(20-11)19-8-9-3-2-4-18-7-9/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyOGTPTLLDTJJOOA-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.15
Rot. Bonds4

About 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717377) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717377
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NCc2cccnc2)n1
InChIInChI=1S/C13H13F3N4/c1-17-11-5-10(13(14,15)16)6-12(20-11)19-8-9-3-2-4-18-7-9/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyOGTPTLLDTJJOOA-UHFFFAOYSA-N
XLogP3.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
2-N-tert-butyl-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919442
2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112873466
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664
2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80969342
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
5-N-(pyridin-3-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112952258
2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 117090190
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818162
6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718632
6-(3-fluoro-4-pyridinyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716896

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717377) is 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(NCc2cccnc2)n1.
What is the InChIKey of 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is OGTPTLLDTJJOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-17-11-5-10(13(14,15)16)6-12(20-11)19-8-9-3-2-4-18-7-9/h2-7H,8H2,1H3,(H2,17,19,20).
What are the key properties of 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 282.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).