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

C20H18F4N6O — CID 18580172

IUPAC2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H18F4N6O/c21-14-4-2-6-16(12-14)26-18-27-17(28-19(29-18)30-7-9-31-10-8-30)25-15-5-1-3-13(11-15)20(22,23)24/h1-6,11-12H,7-10H2,(H2,25,26,27,28,29)
InChIKeyKZWCIHCMAVWDMP-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.35
Rot. Bonds5

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

2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 18580172) has the molecular formula C20H18F4N6O and a molecular weight of 434.40 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID18580172
Molecular FormulaC20H18F4N6O
Molecular Weight434.40 g/mol
Exact Mass434.15
IUPAC Name2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H18F4N6O/c21-14-4-2-6-16(12-14)26-18-27-17(28-19(29-18)30-7-9-31-10-8-30)25-15-5-1-3-13(11-15)20(22,23)24/h1-6,11-12H,7-10H2,(H2,25,26,27,28,29)
InChIKeyKZWCIHCMAVWDMP-UHFFFAOYSA-N
XLogP4.35
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 18580172) is 2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Fc1cccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KZWCIHCMAVWDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N6O/c21-14-4-2-6-16(12-14)26-18-27-17(28-19(29-18)30-7-9-31-10-8-30)25-15-5-1-3-13(11-15)20(22,23)24/h1-6,11-12H,7-10H2,(H2,25,26,27,28,29).
What are the key properties of 2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 434.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18580172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).