3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde

C26H24N4O2 — CID 58175838

IUPAC3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde
SMILESCOc1cccc(Cc2nc(Cc3cccc(C=O)c3)nc(Nc3ccc(C)cc3)n2)c1
InChIInChI=1S/C26H24N4O2/c1-18-9-11-22(12-10-18)27-26-29-24(15-19-5-3-7-21(13-19)17-31)28-25(30-26)16-20-6-4-8-23(14-20)32-2/h3-14,17H,15-16H2,1-2H3,(H,27,28,29,30)
InChIKeyUUOZUQZGFOTOGC-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.93
Rot. Bonds8

About 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde

3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde (PubChem CID 58175838) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde.

Molecular Properties

Compound Name3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde
PubChem CID58175838
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde
SMILESCOc1cccc(Cc2nc(Cc3cccc(C=O)c3)nc(Nc3ccc(C)cc3)n2)c1
InChIInChI=1S/C26H24N4O2/c1-18-9-11-22(12-10-18)27-26-29-24(15-19-5-3-7-21(13-19)17-31)28-25(30-26)16-20-6-4-8-23(14-20)32-2/h3-14,17H,15-16H2,1-2H3,(H,27,28,29,30)
InChIKeyUUOZUQZGFOTOGC-UHFFFAOYSA-N
XLogP4.93
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 45482975
Benzonitrile, 4-((4-((5-acetyl-2-methoxyphenyl)methyl)-6-amino-1,3,5-triazin-2-yl)amino)-
CID 505442
4,4'-((6-(4-(N,N-diethylamino)phenyl)-1,3,5-triazine-2,4 diyl)bis(oxy)) dibenzaldehyde
CID 123397066
2-[4-[[4-(4-Fluorophenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enoic acid
CID 175714440
(E)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 45028634
[4-[(4-Amino-6-anilino-1,3,5-triazin-2-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 8357916
[4-[[4-Amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone
CID 38903613
3-methoxy-N-[4-({4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]benzamide
CID 44826839
1-[3-[4-Methoxy-6-(4-phenoxyanilino)-1,3,5-triazin-2-yl]phenyl]ethanone
CID 117088543
N-[4-(4-Methoxyanilino)-6-phenyl-1,3,5-triazin-2-yl]benzamide
CID 13013090
Ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate
CID 10276079
Ethyl 4-[[4-(4-ethoxycarbonylanilino)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate
CID 11961745

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde?
The IUPAC name of 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde (CID 58175838) is 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde.
What is the SMILES notation for 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde?
The canonical SMILES for 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde is COc1cccc(Cc2nc(Cc3cccc(C=O)c3)nc(Nc3ccc(C)cc3)n2)c1.
What is the InChIKey of 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde?
The InChIKey is UUOZUQZGFOTOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-18-9-11-22(12-10-18)27-26-29-24(15-19-5-3-7-21(13-19)17-31)28-25(30-26)16-20-6-4-8-23(14-20)32-2/h3-14,17H,15-16H2,1-2H3,(H,27,28,29,30).
What are the key properties of 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde?
3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde has a molecular weight of 424.50 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]benzaldehyde is sourced from PubChem (CID 58175838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).