6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine

C13H14F3N5O — CID 22965375

IUPAC6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC(C)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H14F3N5O/c1-7(18-12-20-8(2)19-11(17)21-12)9-5-3-4-6-10(9)22-13(14,15)16/h3-7H,1-2H3,(H3,17,18,19,20,21)
InChIKeyPESVFKNARUDZSY-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.83
Rot. Bonds4

About 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 22965375) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID22965375
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC(C)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H14F3N5O/c1-7(18-12-20-8(2)19-11(17)21-12)9-5-3-4-6-10(9)22-13(14,15)16/h3-7H,1-2H3,(H3,17,18,19,20,21)
InChIKeyPESVFKNARUDZSY-UHFFFAOYSA-N
XLogP2.83
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667613
1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 71655374
6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[3-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 117817309
N-[(4-methoxyphenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 76326780
6-(5-Fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 42601345
6-[[2-(2-methoxyphenyl)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 53611843
2-N-[1-(3-fluorophenyl)ethyl]-4-N-methyl-6-(2,3,4,5,6-pentafluorophenoxy)-1,3,5-triazine-2,4-diamine
CID 145981174
4-N-methyl-6-(2,3,4,5,6-pentafluorophenoxy)-2-N-[(1R)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 145991840
6-[[Ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 8912155
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile
CID 17560751
1-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
CID 164630686

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine (CID 22965375) is 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NC(C)c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PESVFKNARUDZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-7(18-12-20-8(2)19-11(17)21-12)9-5-3-4-6-10(9)22-13(14,15)16/h3-7H,1-2H3,(H3,17,18,19,20,21).
What are the key properties of 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 313.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22965375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).