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

C25H23ClN4O2 — CID 58090691

IUPAC[3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C25H23ClN4O2/c1-32-20-9-5-7-18(13-20)15-24-28-23(14-17-6-4-8-19(12-17)16-31)29-25(30-24)27-22-11-3-2-10-21(22)26/h2-13,31H,14-16H2,1H3,(H,27,28,29,30)
InChIKeyARXAZARGNQBPRE-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.95
Rot. Bonds8

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

[3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol (PubChem CID 58090691) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is [3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
PubChem CID58090691
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name[3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
SMILESCOc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3Cl)n2)c1
InChIInChI=1S/C25H23ClN4O2/c1-32-20-9-5-7-18(13-20)15-24-28-23(14-17-6-4-8-19(12-17)16-31)29-25(30-24)27-22-11-3-2-10-21(22)26/h2-13,31H,14-16H2,1H3,(H,27,28,29,30)
InChIKeyARXAZARGNQBPRE-UHFFFAOYSA-N
XLogP4.95
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[3-[[4-[(3-Methoxyphenyl)methyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
CID 58090668
[3-[[4-[(3-Methoxyphenyl)methyl]-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
CID 58090675
4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine
CID 58090677
4-benzyl-6-[(3-methoxyphenyl)methyl]-N-(2-methylphenyl)-1,3,5-triazin-2-amine
CID 58090687
[3-[[4-(3-Chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
CID 58090689
[3-[[4-[(3-Methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
CID 58090712
4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
CID 58090716
[3-[[4-(4-Methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol
CID 58090737
N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090752
[4-[[4-[(4-Methoxyphenyl)methyl]-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl]phenyl]methanol
CID 58090754
3-[[4-(3-Chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde
CID 58175839
3-[[4-(2-Chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde
CID 58175846

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The IUPAC name of [3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol (CID 58090691) is [3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The canonical SMILES for [3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol is COc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3Cl)n2)c1.
What is the InChIKey of [3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
The InChIKey is ARXAZARGNQBPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-32-20-9-5-7-18(13-20)15-24-28-23(14-17-6-4-8-19(12-17)16-31)29-25(30-24)27-22-11-3-2-10-21(22)26/h2-13,31H,14-16H2,1H3,(H,27,28,29,30).
What are the key properties of [3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol?
[3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol has a molecular weight of 446.94 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-chloroanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 58090691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).