N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine

C21H21N7O2 — CID 147713752

About N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine

N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 147713752) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 147713752
• Molecular Formula: C21H21N7O2
• Molecular Weight: 403.45 g/mol
• Exact Mass: 403.18
• IUPAC Name: N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1ccc(-c2cc3nccn3c(NCCCc3ccc([N+](=O)[O-])c(N)n3)n2)cc1
• InChI: InChI=1S/C21H21N7O2/c1-14-4-6-15(7-5-14)17-13-19-23-11-12-27(19)21(26-17)24-10-2-3-16-8-9-18(28(29)30)20(22)25-16/h4-9,11-13H,2-3,10H2,1H3,(H2,22,25)(H,24,26)
• InChIKey: GVFJKZIWHJIQKC-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.45
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine (CID 147713752) is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine is Cc1ccc(-c2cc3nccn3c(NCCCc3ccc([N+](=O)[O-])c(N)n3)n2)cc1.

What is the InChIKey of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is GVFJKZIWHJIQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-14-4-6-15(7-5-14)17-13-19-23-11-12-27(19)21(26-17)24-10-2-3-16-8-9-18(28(29)30)20(22)25-16/h4-9,11-13H,2-3,10H2,1H3,(H2,22,25)(H,24,26).

What are the key properties of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?

N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 403.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 147713752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).