N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

C24H25N5 — CID 112922431

About N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112922431) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
• PubChem CID: 112922431
• Molecular Formula: C24H25N5
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.21
• IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
• SMILES: Cc1cc(NCCc2c[nH]c3ccccc23)nc(N2c3ccccc3CC2C)n1
• InChI: InChI=1S/C24H25N5/c1-16-13-23(25-12-11-19-15-26-21-9-5-4-8-20(19)21)28-24(27-16)29-17(2)14-18-7-3-6-10-22(18)29/h3-10,13,15,17,26H,11-12,14H2,1-2H3,(H,25,27,28)
• InChIKey: UZZYZIXUUXRCSR-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 56.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?

The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112922431) is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?

The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is Cc1cc(NCCc2c[nH]c3ccccc23)nc(N2c3ccccc3CC2C)n1.

What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?

The InChIKey is UZZYZIXUUXRCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-16-13-23(25-12-11-19-15-26-21-9-5-4-8-20(19)21)28-24(27-16)29-17(2)14-18-7-3-6-10-22(18)29/h3-10,13,15,17,26H,11-12,14H2,1-2H3,(H,25,27,28).

What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 383.50 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112922431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).