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

C26H26N4O2 — CID 58090675

IUPAC[3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C26H26N4O2/c1-18-7-3-4-12-23(18)27-26-29-24(15-19-8-5-10-21(13-19)17-31)28-25(30-26)16-20-9-6-11-22(14-20)32-2/h3-14,31H,15-17H2,1-2H3,(H,27,28,29,30)
InChIKeyPKUANNWNRIBYTI-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.61
Rot. Bonds8

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

[3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol (PubChem CID 58090675) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is [3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
PubChem CID58090675
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name[3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C26H26N4O2/c1-18-7-3-4-12-23(18)27-26-29-24(15-19-8-5-10-21(13-19)17-31)28-25(30-26)16-20-9-6-11-22(14-20)32-2/h3-14,31H,15-17H2,1-2H3,(H,27,28,29,30)
InChIKeyPKUANNWNRIBYTI-UHFFFAOYSA-N
XLogP4.61
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(3-methoxyphenyl)phenyl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040417
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
5-[[4-(3-Fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 11316243
6-[1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 17454857
4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine
CID 117089002
4-(4-Chloro-6-(3-methoxyphenyl)-1,3,5-triazin-2-ylamino)phenol
CID 44251863
4-[[4-Amino-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol
CID 44252002
2-[6-[(3-Methoxyphenyl)methyl]-2-pyridinyl]-1,3-diphenylguanidine
CID 53762240
3-[[4,6-Bis(5-hydroxy-2-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)
CID 58059730
2-[[4,6-Bis(2-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-4-methanidyloxyphenol;tris(rutherfordium)
CID 58059748
3-[[4,6-Bis(3-hydroxy-5-methanidyloxyanilino)-1,3,5-triazin-2-yl]methyl]-5-methanidyloxyphenol;tris(rutherfordium)
CID 58059788

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The IUPAC name of [3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol (CID 58090675) is [3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The canonical SMILES for [3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol is COc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3C)n2)c1.
What is the InChIKey of [3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The InChIKey is PKUANNWNRIBYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-7-3-4-12-23(18)27-26-29-24(15-19-8-5-10-21(13-19)17-31)28-25(30-26)16-20-9-6-11-22(14-20)32-2/h3-14,31H,15-17H2,1-2H3,(H,27,28,29,30).
What are the key properties of [3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
[3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol has a molecular weight of 426.52 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[(3-methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 58090675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).