2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine

C24H24N6O — CID 66549488

About 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine

2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine (PubChem CID 66549488) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine
• PubChem CID: 66549488
• Molecular Formula: C24H24N6O
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.20
• IUPAC Name: 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine
• SMILES: COc1ccc2[nH]cc(CCNc3nccc(Nc4cccc5[nH]c(C)cc45)n3)c2c1
• InChI: InChI=1S/C24H24N6O/c1-15-12-19-21(28-15)4-3-5-22(19)29-23-9-11-26-24(30-23)25-10-8-16-14-27-20-7-6-17(31-2)13-18(16)20/h3-7,9,11-14,27-28H,8,10H2,1-2H3,(H2,25,26,29,30)
• InChIKey: RWFNMAZKSARHOQ-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 90.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.50
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine?

The IUPAC name of 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine (CID 66549488) is 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine is COc1ccc2[nH]cc(CCNc3nccc(Nc4cccc5[nH]c(C)cc45)n3)c2c1.

What is the InChIKey of 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine?

The InChIKey is RWFNMAZKSARHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-15-12-19-21(28-15)4-3-5-22(19)29-23-9-11-26-24(30-23)25-10-8-16-14-27-20-7-6-17(31-2)13-18(16)20/h3-7,9,11-14,27-28H,8,10H2,1-2H3,(H2,25,26,29,30).

What are the key properties of 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine?

2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 412.50 g/mol, XLogP of 5.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66549488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).