2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol

C32H29N7O2 — CID 135543566

IUPAC2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cccc(Nc2nc(N3CCOCC3)nc(N(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C32H29N7O2/c40-29-17-8-7-10-24(29)23-33-25-11-9-12-26(22-25)34-30-35-31(38-18-20-41-21-19-38)37-32(36-30)39(27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-17,22-23,40H,18-21H2,(H,34,35,36,37)/b33-23+
InChIKeyXBMKTPLFGJKNBC-GZZLJNBRSA-N
MW543.63 g/mol
LogP6.38
Rot. Bonds8

About 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol

2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol (PubChem CID 135543566) has the molecular formula C32H29N7O2 and a molecular weight of 543.63 g/mol. Its IUPAC name is 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol
PubChem CID135543566
Molecular FormulaC32H29N7O2
Molecular Weight543.63 g/mol
Exact Mass543.24
IUPAC Name2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cccc(Nc2nc(N3CCOCC3)nc(N(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C32H29N7O2/c40-29-17-8-7-10-24(29)23-33-25-11-9-12-26(22-25)34-30-35-31(38-18-20-41-21-19-38)37-32(36-30)39(27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-17,22-23,40H,18-21H2,(H,34,35,36,37)/b33-23+
InChIKeyXBMKTPLFGJKNBC-GZZLJNBRSA-N
XLogP6.38
TPSA99.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.63
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,4-dihydroxy-3-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]benzeneamine oxide
CID 163120534
2-[(E)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 171979596
4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135905107
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
2-[[3-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]-4-nitrophenol
CID 3679615
2-N-[[4-(dimethylamino)phenyl]methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 4289951
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 136914409
2-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-[(3,4-dimethylphenyl)diazenyl]phenol
CID 137059671
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 70504908

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol (CID 135543566) is 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1cccc(Nc2nc(N3CCOCC3)nc(N(c3ccccc3)c3ccccc3)n2)c1.
What is the InChIKey of 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol?
The InChIKey is XBMKTPLFGJKNBC-GZZLJNBRSA-N. The full InChI is InChI=1S/C32H29N7O2/c40-29-17-8-7-10-24(29)23-33-25-11-9-12-26(22-25)34-30-35-31(38-18-20-41-21-19-38)37-32(36-30)39(27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-17,22-23,40H,18-21H2,(H,34,35,36,37)/b33-23+.
What are the key properties of 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol?
2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol has a molecular weight of 543.63 g/mol, XLogP of 6.38, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol is sourced from PubChem (CID 135543566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).