[3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine

C98H93ClN18O2 — CID 158305856

About [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine

[3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 158305856) has the molecular formula C98H93ClN18O2 and a molecular weight of 1590.40 g/mol. Its IUPAC name is [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
• PubChem CID: 158305856
• Molecular Formula: C98H93ClN18O2
• Molecular Weight: 1590.40 g/mol
• Exact Mass: 1588.74
• IUPAC Name: [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
• SMILES: COc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccnc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccncc3)n2)c1
• InChI: InChI=1S/C25H23ClN4.C25H24N4O2.2C24H23N5/c1-17-7-5-9-19(13-17)15-23-28-24(16-20-10-6-8-18(2)14-20)30-25(29-23)27-22-12-4-3-11-21(22)26;1-31-22-12-6-8-19(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;1-17-6-3-8-19(12-17)14-22-27-23(15-20-9-4-7-18(2)13-20)29-24(28-22)26-21-10-5-11-25-16-21;1-17-5-3-7-19(13-17)15-22-27-23(16-20-8-4-6-18(2)14-20)29-24(28-22)26-21-9-11-25-12-10-21/h3-14H,15-16H2,1-2H3,(H,27,28,29,30);2-14,30H,15-17H2,1H3,(H,26,27,28,29);3-13,16H,14-15H2,1-2H3,(H,26,27,28,29);3-14H,15-16H2,1-2H3,(H,25,26,27,28,29)
• InChIKey: GNBMSQRWSKZRDN-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 258.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.40
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?

The IUPAC name of [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (CID 158305856) is [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.

What is the SMILES notation for [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?

The canonical SMILES for [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is COc1cccc(Cc2nc(Cc3cccc(CO)c3)nc(Nc3ccccc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3cccnc3)n2)c1.Cc1cccc(Cc2nc(Cc3cccc(C)c3)nc(Nc3ccncc3)n2)c1.

What is the InChIKey of [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?

The InChIKey is GNBMSQRWSKZRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4.C25H24N4O2.2C24H23N5/c1-17-7-5-9-19(13-17)15-23-28-24(16-20-10-6-8-18(2)14-20)30-25(29-23)27-22-12-4-3-11-21(22)26;1-31-22-12-6-8-19(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;1-17-6-3-8-19(12-17)14-22-27-23(15-20-9-4-7-18(2)13-20)29-24(28-22)26-21-10-5-11-25-16-21;1-17-5-3-7-19(13-17)15-22-27-23(16-20-8-4-6-18(2)14-20)29-24(28-22)26-21-9-11-25-12-10-21/h3-14H,15-16H2,1-2H3,(H,27,28,29,30);2-14,30H,15-17H2,1H3,(H,26,27,28,29);3-13,16H,14-15H2,1-2H3,(H,26,27,28,29);3-14H,15-16H2,1-2H3,(H,25,26,27,28,29).

What are the key properties of [3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?

[3-[[4-anilino-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methanol;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 1590.40 g/mol, XLogP of 19.98, 26 rotatable bonds, 5 hydrogen bond donors, and 20 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;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-3-yl-1,3,5-triazin-2-amine;4,6-bis[(3-methylphenyl)methyl]-N-pyridin-4-yl-1,3,5-triazin-2-amine;N-(2-chlorophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 158305856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).