4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine

C24H25N7 — CID 68914823

About 4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine

4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 68914823) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 68914823
• Molecular Formula: C24H25N7
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.22
• IUPAC Name: 4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine
• SMILES: Nc1ncc(-c2cccc(-c3c[nH]c4ccccc34)c2)c(NCCCN2C=NCC2)n1
• InChI: InChI=1S/C24H25N7/c25-24-29-15-21(23(30-24)27-9-4-11-31-12-10-26-16-31)18-6-3-5-17(13-18)20-14-28-22-8-2-1-7-19(20)22/h1-3,5-8,13-16,28H,4,9-12H2,(H3,25,27,29,30)
• InChIKey: WEIHOWJMOWPPIU-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 95.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine (CID 68914823) is 4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine.

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

The canonical SMILES for 4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine is Nc1ncc(-c2cccc(-c3c[nH]c4ccccc34)c2)c(NCCCN2C=NCC2)n1.

What is the InChIKey of 4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine?

The InChIKey is WEIHOWJMOWPPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c25-24-29-15-21(23(30-24)27-9-4-11-31-12-10-26-16-31)18-6-3-5-17(13-18)20-14-28-22-8-2-1-7-19(20)22/h1-3,5-8,13-16,28H,4,9-12H2,(H3,25,27,29,30).

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

4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 411.51 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[3-(4,5-dihydroimidazol-1-yl)propyl]-5-[3-(1H-indol-3-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 68914823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).