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

C24H29N7O3 — CID 3647634

IUPAC2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1OCC
InChIInChI=1S/C24H29N7O3/c1-3-33-20-11-10-18(16-21(20)34-4-2)17-25-30-23-27-22(26-19-8-6-5-7-9-19)28-24(29-23)31-12-14-32-15-13-31/h5-11,16-17H,3-4,12-15H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyVXIYTONXLDDKOH-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.70
Rot. Bonds10

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

2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 3647634) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID3647634
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1OCC
InChIInChI=1S/C24H29N7O3/c1-3-33-20-11-10-18(16-21(20)34-4-2)17-25-30-23-27-22(26-19-8-6-5-7-9-19)28-24(29-23)31-12-14-32-15-13-31/h5-11,16-17H,3-4,12-15H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyVXIYTONXLDDKOH-UHFFFAOYSA-N
XLogP3.70
TPSA106.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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-N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 98078340
N-[(3,4-diethoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 5050991
2-[4-[(E)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 126211379
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
4-[(E)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135593794
2-N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 98095089
2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
CID 126207135
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 98078338
N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 50870786
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 136914409
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 3647634) is 2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is CCOc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1OCC.
What is the InChIKey of 2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VXIYTONXLDDKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-3-33-20-11-10-18(16-21(20)34-4-2)17-25-30-23-27-22(26-19-8-6-5-7-9-19)28-24(29-23)31-12-14-32-15-13-31/h5-11,16-17H,3-4,12-15H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of 2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 463.54 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3647634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).