6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine

C19H25N7O3 — CID 91419407

About 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 91419407) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 91419407
• Molecular Formula: C19H25N7O3
• Molecular Weight: 399.46 g/mol
• Exact Mass: 399.20
• IUPAC Name: 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
• SMILES: COCCNc1nc(NCc2ccc(-n3cnc(C)c3)c(OC)c2)nc(OC)n1
• InChI: InChI=1S/C19H25N7O3/c1-13-11-26(12-22-13)15-6-5-14(9-16(15)28-3)10-21-18-23-17(20-7-8-27-2)24-19(25-18)29-4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H2,20,21,23,24,25)
• InChIKey: DQVDJRIGJJKCQB-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 108.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.46
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (CID 91419407) is 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is COCCNc1nc(NCc2ccc(-n3cnc(C)c3)c(OC)c2)nc(OC)n1.

What is the InChIKey of 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is DQVDJRIGJJKCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-13-11-26(12-22-13)15-6-5-14(9-16(15)28-3)10-21-18-23-17(20-7-8-27-2)24-19(25-18)29-4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H2,20,21,23,24,25).

What are the key properties of 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?

6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 399.46 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91419407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).