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

C21H21F3N6O2 — CID 2833120

IUPAC4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H21F3N6O2/c1-31-17-7-5-15(6-8-17)25-18-27-19(29-20(28-18)30-9-11-32-12-10-30)26-16-4-2-3-14(13-16)21(22,23)24/h2-8,13H,9-12H2,1H3,(H2,25,26,27,28,29)
InChIKeyOGKJULOIIJLRDA-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.22
Rot. Bonds6

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

4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 2833120) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID2833120
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H21F3N6O2/c1-31-17-7-5-15(6-8-17)25-18-27-19(29-20(28-18)30-9-11-32-12-10-30)26-16-4-2-3-14(13-16)21(22,23)24/h2-8,13H,9-12H2,1H3,(H2,25,26,27,28,29)
InChIKeyOGKJULOIIJLRDA-UHFFFAOYSA-N
XLogP4.22
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 2833120) is 4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OGKJULOIIJLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-31-17-7-5-15(6-8-17)25-18-27-19(29-20(28-18)30-9-11-32-12-10-30)26-16-4-2-3-14(13-16)21(22,23)24/h2-8,13H,9-12H2,1H3,(H2,25,26,27,28,29).
What are the key properties of 4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 446.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-6-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2833120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).