2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C24H22N6O2 — CID 156755251

IUPAC2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(OCC4CO4)c3)n2)cc1
InChIInChI=1S/C24H22N6O2/c1-3-8-17(9-4-1)25-22-28-23(26-18-10-5-2-6-11-18)30-24(29-22)27-19-12-7-13-20(14-19)31-15-21-16-32-21/h1-14,21H,15-16H2,(H3,25,26,27,28,29,30)
InChIKeyWOPRPQYHUHEZRX-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.88
Rot. Bonds9

About 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 156755251) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID156755251
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(OCC4CO4)c3)n2)cc1
InChIInChI=1S/C24H22N6O2/c1-3-8-17(9-4-1)25-22-28-23(26-18-10-5-2-6-11-18)30-24(29-22)27-19-12-7-13-20(14-19)31-15-21-16-32-21/h1-14,21H,15-16H2,(H3,25,26,27,28,29,30)
InChIKeyWOPRPQYHUHEZRX-UHFFFAOYSA-N
XLogP4.88
TPSA96.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

5-bromo-2-N-[4-(oxiran-2-ylmethoxy)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 18186486
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
2-[(3-benzhydrylphenoxy)methyl]oxirane
CID 123717672
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-[[3-[1,3,3-tris[3-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 59217386
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 156755251) is 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(OCC4CO4)c3)n2)cc1.
What is the InChIKey of 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WOPRPQYHUHEZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-3-8-17(9-4-1)25-22-28-23(26-18-10-5-2-6-11-18)30-24(29-22)27-19-12-7-13-20(14-19)31-15-21-16-32-21/h1-14,21H,15-16H2,(H3,25,26,27,28,29,30).
What are the key properties of 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 426.48 g/mol, XLogP of 4.88, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 156755251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).