2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C22H26N6O4 — CID 18580158

About 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18580158) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
• PubChem CID: 18580158
• Molecular Formula: C22H26N6O4
• Molecular Weight: 438.49 g/mol
• Exact Mass: 438.20
• IUPAC Name: 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
• SMILES: COc1ccc(Nc2nc(Nc3ccc(OC)c(OC)c3)nc(N3CCOCC3)n2)cc1
• InChI: InChI=1S/C22H26N6O4/c1-29-17-7-4-15(5-8-17)23-20-25-21(27-22(26-20)28-10-12-32-13-11-28)24-16-6-9-18(30-2)19(14-16)31-3/h4-9,14H,10-13H2,1-3H3,(H2,23,24,25,26,27)
• InChIKey: WIJACFYZZCVKJB-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 102.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 18580158) is 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccc(OC)c(OC)c3)nc(N3CCOCC3)n2)cc1.

What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?

The InChIKey is WIJACFYZZCVKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-29-17-7-4-15(5-8-17)23-20-25-21(27-22(26-20)28-10-12-32-13-11-28)24-16-6-9-18(30-2)19(14-16)31-3/h4-9,14H,10-13H2,1-3H3,(H2,23,24,25,26,27).

What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?

2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 438.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18580158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).