4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol

C24H29N7O3 — CID 135536352

IUPAC4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/Nc2nc(Nc3cc(C)ccc3C)nc(N3CCOCC3)n2)ccc1O
InChIInChI=1S/C24H29N7O3/c1-4-34-21-14-18(7-8-20(21)32)15-25-30-23-27-22(26-19-13-16(2)5-6-17(19)3)28-24(29-23)31-9-11-33-12-10-31/h5-8,13-15,32H,4,9-12H2,1-3H3,(H2,26,27,28,29,30)/b25-15+
InChIKeyMRFALKWVNBEWSF-MFKUBSTISA-N
MW463.54 g/mol
LogP3.62
Rot. Bonds8

About 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol

4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol (PubChem CID 135536352) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol
PubChem CID135536352
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/Nc2nc(Nc3cc(C)ccc3C)nc(N3CCOCC3)n2)ccc1O
InChIInChI=1S/C24H29N7O3/c1-4-34-21-14-18(7-8-20(21)32)15-25-30-23-27-22(26-19-13-16(2)5-6-17(19)3)28-24(29-23)31-9-11-33-12-10-31/h5-8,13-15,32H,4,9-12H2,1-3H3,(H2,26,27,28,29,30)/b25-15+
InChIKeyMRFALKWVNBEWSF-MFKUBSTISA-N
XLogP3.62
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 3098999
2-[[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3098991
N-[(3,4-diethoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 5050991
2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3647634
4-[(E)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135593794
2-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6245512
2-[(2,4-dichlorophenyl)methoxy]-5-[(E)-[[4-(2,4-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 143764661
2-methoxy-4-[(Z)-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 156588206
2-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 175653154
2-methoxy-4-[(E)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135479775
2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
CID 126207135
2-bromo-4-chloro-6-[[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3095433

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol (CID 135536352) is 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol is CCOc1cc(/C=N/Nc2nc(Nc3cc(C)ccc3C)nc(N3CCOCC3)n2)ccc1O.
What is the InChIKey of 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol?
The InChIKey is MRFALKWVNBEWSF-MFKUBSTISA-N. The full InChI is InChI=1S/C24H29N7O3/c1-4-34-21-14-18(7-8-20(21)32)15-25-30-23-27-22(26-19-13-16(2)5-6-17(19)3)28-24(29-23)31-9-11-33-12-10-31/h5-8,13-15,32H,4,9-12H2,1-3H3,(H2,26,27,28,29,30)/b25-15+.
What are the key properties of 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol?
4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol has a molecular weight of 463.54 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol is sourced from PubChem (CID 135536352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).