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

C25H24N4O2 — CID 58282533

IUPAC[3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C25H24N4O2/c1-31-22-12-6-8-19(14-22)16-24-27-23(15-18-7-5-9-20(13-18)17-30)28-25(29-24)26-21-10-3-2-4-11-21/h2-14,30H,15-17H2,1H3,(H,26,27,28,29)
InChIKeyYXZWCFAUSRKBEB-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.30
Rot. Bonds8

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

[3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol (PubChem CID 58282533) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
PubChem CID58282533
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name[3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C25H24N4O2/c1-31-22-12-6-8-19(14-22)16-24-27-23(15-18-7-5-9-20(13-18)17-30)28-25(29-24)26-21-10-3-2-4-11-21/h2-14,30H,15-17H2,1H3,(H,26,27,28,29)
InChIKeyYXZWCFAUSRKBEB-UHFFFAOYSA-N
XLogP4.30
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 11223762
4-[3-(3-methoxyphenyl)phenyl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040417
(2S)-2-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 69815310
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
2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine
CID 135029980
6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 135029985
5-[[4-(3-Fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 11316243
1,1,1,3,3,3-Hexafluoro-2-[4-[[4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol
CID 132937880
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

Frequently Asked Questions

What is the IUPAC name of [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The IUPAC name of [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol (CID 58282533) is [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The canonical SMILES for [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol is COc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3)n2)c1.
What is the InChIKey of [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The InChIKey is YXZWCFAUSRKBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-31-22-12-6-8-19(14-22)16-24-27-23(15-18-7-5-9-20(13-18)17-30)28-25(29-24)26-21-10-3-2-4-11-21/h2-14,30H,15-17H2,1H3,(H,26,27,28,29).
What are the key properties of [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
[3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol has a molecular weight of 412.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 58282533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).