4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine

C20H16F6N6O — CID 122677415

IUPAC4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H16F6N6O/c21-19(22,23)12-3-1-4-13(11-12)27-17-29-16(14-5-2-6-15(28-14)20(24,25)26)30-18(31-17)32-7-9-33-10-8-32/h1-6,11H,7-10H2,(H,27,29,30,31)
InChIKeyUYWFQEQPBIDCOH-UHFFFAOYSA-N
MW470.38 g/mol
LogP4.55
Rot. Bonds4

About 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine

4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine (PubChem CID 122677415) has the molecular formula C20H16F6N6O and a molecular weight of 470.38 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
PubChem CID122677415
Molecular FormulaC20H16F6N6O
Molecular Weight470.38 g/mol
Exact Mass470.13
IUPAC Name4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H16F6N6O/c21-19(22,23)12-3-1-4-13(11-12)27-17-29-16(14-5-2-6-15(28-14)20(24,25)26)30-18(31-17)32-7-9-33-10-8-32/h1-6,11H,7-10H2,(H,27,29,30,31)
InChIKeyUYWFQEQPBIDCOH-UHFFFAOYSA-N
XLogP4.55
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-N-[(4-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 75611620
ethyl 2-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetate
CID 5244583
4-bromo-2-[(Z)-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136772688
2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol
CID 134197873
2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112869941
1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]-3-methylpyrrolidin-3-ol
CID 160975266
(3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 159755143
2-morpholin-4-yl-4-(2-phenylethynyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-5-carbaldehyde
CID 102417261
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 172842387
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
2-N-[(2-chloro-5-nitrophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 5253501

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine (CID 122677415) is 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine is FC(F)(F)c1cccc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?
The InChIKey is UYWFQEQPBIDCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N6O/c21-19(22,23)12-3-1-4-13(11-12)27-17-29-16(14-5-2-6-15(28-14)20(24,25)26)30-18(31-17)32-7-9-33-10-8-32/h1-6,11H,7-10H2,(H,27,29,30,31).
What are the key properties of 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?
4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine has a molecular weight of 470.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 122677415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).