ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine

C24H30N10O — CID 158198632

About ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine

ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 158198632) has the molecular formula C24H30N10O and a molecular weight of 474.57 g/mol. Its IUPAC name is ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 158198632
• Molecular Formula: C24H30N10O
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.26
• IUPAC Name: ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine
• SMILES: CC.CNc1nc(NCOCNc2nc(NC)nc(-c3ccccc3)n2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C22H24N10O.C2H6/c1-23-19-27-17(15-9-5-3-6-10-15)29-21(31-19)25-13-33-14-26-22-30-18(28-20(24-2)32-22)16-11-7-4-8-12-16;1-2/h3-12H,13-14H2,1-2H3,(H2,23,25,27,29,31)(H2,24,26,28,30,32);1-2H3
• InChIKey: GAQPOWUNQGNFGJ-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 134.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine (CID 158198632) is ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine is CC.CNc1nc(NCOCNc2nc(NC)nc(-c3ccccc3)n2)nc(-c2ccccc2)n1.

What is the InChIKey of ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine?

The InChIKey is GAQPOWUNQGNFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10O.C2H6/c1-23-19-27-17(15-9-5-3-6-10-15)29-21(31-19)25-13-33-14-26-22-30-18(28-20(24-2)32-22)16-11-7-4-8-12-16;1-2/h3-12H,13-14H2,1-2H3,(H2,23,25,27,29,31)(H2,24,26,28,30,32);1-2H3.

What are the key properties of ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine?

ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 474.57 g/mol, XLogP of 3.96, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-N-methyl-2-N-[[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]methoxymethyl]-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158198632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).