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

C26H26N4O2 — CID 58090754

IUPAC[4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1ccc(Cc2nc(Cc3ccc(CO)cc3)nc(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C26H26N4O2/c1-18-4-3-5-22(14-18)27-26-29-24(15-19-6-8-21(17-31)9-7-19)28-25(30-26)16-20-10-12-23(32-2)13-11-20/h3-14,31H,15-17H2,1-2H3,(H,27,28,29,30)
InChIKeyLPUDJVCZKRIAMW-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.61
Rot. Bonds8

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

[4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol (PubChem CID 58090754) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
PubChem CID58090754
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name[4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1ccc(Cc2nc(Cc3ccc(CO)cc3)nc(Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C26H26N4O2/c1-18-4-3-5-22(14-18)27-26-29-24(15-19-6-8-21(17-31)9-7-19)28-25(30-26)16-20-10-12-23(32-2)13-11-20/h3-14,31H,15-17H2,1-2H3,(H,27,28,29,30)
InChIKeyLPUDJVCZKRIAMW-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 [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol with MolForge

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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-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58039840
4-N-[[4-(4-methoxyphenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58039991
4-[3-(3-methoxyphenyl)phenyl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040417
4-ethoxy-6-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040453
2-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 69814102
(2S)-2-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 69815310
4-chloro-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine
CID 88276375
2-N-(4-methoxyphenyl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine
CID 135029980
5-[[4-(3-Fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 11316243
4-methoxy-6-(4-methoxyphenyl)-N-phenyl-1,3,5-triazin-2-amine
CID 117089002
4-methoxy-6-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
CID 117089896

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol (CID 58090754) is [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol is COc1ccc(Cc2nc(Cc3ccc(CO)cc3)nc(Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The InChIKey is LPUDJVCZKRIAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-4-3-5-22(14-18)27-26-29-24(15-19-6-8-21(17-31)9-7-19)28-25(30-26)16-20-10-12-23(32-2)13-11-20/h3-14,31H,15-17H2,1-2H3,(H,27,28,29,30).
What are the key properties of [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
[4-[[4-[(4-methoxyphenyl)methyl]-6-(3-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 [4-[[4-[(4-methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 58090754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).