[3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol

C26H26N4O3 — CID 58090737

IUPAC[3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1ccc(Nc2nc(Cc3cccc(CO)c3)nc(Cc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C26H26N4O3/c1-32-22-11-9-21(10-12-22)27-26-29-24(15-18-5-3-7-20(13-18)17-31)28-25(30-26)16-19-6-4-8-23(14-19)33-2/h3-14,31H,15-17H2,1-2H3,(H,27,28,29,30)
InChIKeyFDOVBYNAISQOLY-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.31
Rot. Bonds9

About [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol

[3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol (PubChem CID 58090737) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
PubChem CID58090737
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name[3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1ccc(Nc2nc(Cc3cccc(CO)c3)nc(Cc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C26H26N4O3/c1-32-22-11-9-21(10-12-22)27-26-29-24(15-18-5-3-7-20(13-18)17-31)28-25(30-26)16-19-6-4-8-23(14-19)33-2/h3-14,31H,15-17H2,1-2H3,(H,27,28,29,30)
InChIKeyFDOVBYNAISQOLY-UHFFFAOYSA-N
XLogP4.31
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

6-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1397715
4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164612435
4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164616445
4-(4-methoxyphenyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164627331
4-chloro-N,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-amine
CID 164617393
4-[3-(3-methoxyphenyl)phenyl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040417
2-[4-[4-Methyl-6-[4-[3-methyl-5-(trifluoromethyl)phenoxy]anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 58309960
2-[4-[4-[4-[3,5-Bis(trifluoromethyl)phenoxy]anilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600378
4-(4-methoxyphenyl)-6-[2-(2-methoxyphenyl)ethynyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 166452190
4-[[4-Amino-6-[(2,5-dimethoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505431
4-[[4-Amino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505432
4-[[4-Amino-6-[(3-ethoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505433

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The IUPAC name of [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol (CID 58090737) is [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The canonical SMILES for [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol is COc1ccc(Nc2nc(Cc3cccc(CO)c3)nc(Cc3cccc(OC)c3)n2)cc1.
What is the InChIKey of [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The InChIKey is FDOVBYNAISQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-32-22-11-9-21(10-12-22)27-26-29-24(15-18-5-3-7-20(13-18)17-31)28-25(30-26)16-19-6-4-8-23(14-19)33-2/h3-14,31H,15-17H2,1-2H3,(H,27,28,29,30).
What are the key properties of [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
[3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol has a molecular weight of 442.52 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 58090737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).