5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine

C24H24N6O — CID 89485084

About 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine

5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 89485084) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
• PubChem CID: 89485084
• Molecular Formula: C24H24N6O
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.20
• IUPAC Name: 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
• SMILES: COc1ccc2[nH]cc(CCNc3ncc(Cc4ccc5cc[nH]c5c4)c(N)n3)c2c1
• InChI: InChI=1S/C24H24N6O/c1-31-19-4-5-21-20(12-19)17(13-28-21)7-9-27-24-29-14-18(23(25)30-24)10-15-2-3-16-6-8-26-22(16)11-15/h2-6,8,11-14,26,28H,7,9-10H2,1H3,(H3,25,27,29,30)
• InChIKey: HQNCYCZXUZDHJS-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 104.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.50
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine?

The IUPAC name of 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 89485084) is 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine?

The canonical SMILES for 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine is COc1ccc2[nH]cc(CCNc3ncc(Cc4ccc5cc[nH]c5c4)c(N)n3)c2c1.

What is the InChIKey of 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine?

The InChIKey is HQNCYCZXUZDHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-31-19-4-5-21-20(12-19)17(13-28-21)7-9-27-24-29-14-18(23(25)30-24)10-15-2-3-16-6-8-26-22(16)11-15/h2-6,8,11-14,26,28H,7,9-10H2,1H3,(H3,25,27,29,30).

What are the key properties of 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine?

5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 412.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1H-indol-6-ylmethyl)-2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 89485084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).