2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C19H16F6N8O — CID 134197858

IUPAC2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cc(Nc2nc(NN3CCOCC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1
InChIInChI=1S/C19H16F6N8O/c20-18(21,22)13-3-1-2-12(28-13)15-29-16(27-11-4-5-26-14(10-11)19(23,24)25)31-17(30-15)32-33-6-8-34-9-7-33/h1-5,10H,6-9H2,(H2,26,27,29,30,31,32)
InChIKeyOAHZFSXRWWLTFW-UHFFFAOYSA-N
MW486.38 g/mol
LogP3.77
Rot. Bonds5

About 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 134197858) has the molecular formula C19H16F6N8O and a molecular weight of 486.38 g/mol. Its IUPAC name is 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID134197858
Molecular FormulaC19H16F6N8O
Molecular Weight486.38 g/mol
Exact Mass486.14
IUPAC Name2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cc(Nc2nc(NN3CCOCC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1
InChIInChI=1S/C19H16F6N8O/c20-18(21,22)13-3-1-2-12(28-13)15-29-16(27-11-4-5-26-14(10-11)19(23,24)25)31-17(30-15)32-33-6-8-34-9-7-33/h1-5,10H,6-9H2,(H2,26,27,29,30,31,32)
InChIKeyOAHZFSXRWWLTFW-UHFFFAOYSA-N
XLogP3.77
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 134197858) is 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is FC(F)(F)c1cc(Nc2nc(NN3CCOCC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.
What is the InChIKey of 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OAHZFSXRWWLTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N8O/c20-18(21,22)13-3-1-2-12(28-13)15-29-16(27-11-4-5-26-14(10-11)19(23,24)25)31-17(30-15)32-33-6-8-34-9-7-33/h1-5,10H,6-9H2,(H2,26,27,29,30,31,32).
What are the key properties of 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 486.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-morpholin-4-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134197858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).