6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine

C19H15Cl2N7O3 — CID 59313084

About 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine

6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine (PubChem CID 59313084) has the molecular formula C19H15Cl2N7O3 and a molecular weight of 460.28 g/mol. Its IUPAC name is 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

• Compound Name: 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine
• PubChem CID: 59313084
• Molecular Formula: C19H15Cl2N7O3
• Molecular Weight: 460.28 g/mol
• Exact Mass: 459.06
• IUPAC Name: 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine
• SMILES: Nc1nc(NCCOc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)ccc1[N+](=O)[O-]
• InChI: InChI=1S/C19H15Cl2N7O3/c20-11-1-2-12(13(21)9-11)14-10-17-24-5-7-27(17)19(25-14)31-8-6-23-16-4-3-15(28(29)30)18(22)26-16/h1-5,7,9-10H,6,8H2,(H3,22,23,26)
• InChIKey: GASLOMULBYJTHC-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.28
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine?

The IUPAC name of 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine (CID 59313084) is 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine.

What is the SMILES notation for 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine?

The canonical SMILES for 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine is Nc1nc(NCCOc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)ccc1[N+](=O)[O-].

What is the InChIKey of 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine?

The InChIKey is GASLOMULBYJTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N7O3/c20-11-1-2-12(13(21)9-11)14-10-17-24-5-7-27(17)19(25-14)31-8-6-23-16-4-3-15(28(29)30)18(22)26-16/h1-5,7,9-10H,6,8H2,(H3,22,23,26).

What are the key properties of 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine?

6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine has a molecular weight of 460.28 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 59313084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).