N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile

C44H37Cl4N15O2 — CID 158281162

About N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile

N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile (PubChem CID 158281162) has the molecular formula C44H37Cl4N15O2 and a molecular weight of 949.69 g/mol. Its IUPAC name is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile
• PubChem CID: 158281162
• Molecular Formula: C44H37Cl4N15O2
• Molecular Weight: 949.69 g/mol
• Exact Mass: 947.20
• IUPAC Name: N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile
• SMILES: Cc1cnc(-c2cnc(CCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1.Nc1nc(CCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
• InChI: InChI=1S/C23H19Cl2N7.C21H18Cl2N8O2/c1-14-11-30-23(31-14)18-13-29-21(32-22(18)17-6-5-16(24)9-19(17)25)3-2-8-27-20-7-4-15(10-26)12-28-20;22-13-3-5-15(16(23)10-13)19-18(30-9-8-25-12-30)11-27-21(29-19)26-7-1-2-14-4-6-17(31(32)33)20(24)28-14/h4-7,9,11-13H,2-3,8H2,1H3,(H,27,28)(H,30,31);3-6,8-12H,1-2,7H2,(H2,24,28)(H,26,27,29)
• InChIKey: GKFNNWRDAUAIAE-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 240.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.69
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile?

The IUPAC name of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile (CID 158281162) is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile.

What is the SMILES notation for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile?

The canonical SMILES for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile is Cc1cnc(-c2cnc(CCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1.Nc1nc(CCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-].

What is the InChIKey of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile?

The InChIKey is GKFNNWRDAUAIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N7.C21H18Cl2N8O2/c1-14-11-30-23(31-14)18-13-29-21(32-22(18)17-6-5-16(24)9-19(17)25)3-2-8-27-20-7-4-15(10-26)12-28-20;22-13-3-5-15(16(23)10-13)19-18(30-9-8-25-12-30)11-27-21(29-19)26-7-1-2-14-4-6-17(31(32)33)20(24)28-14/h4-7,9,11-13H,2-3,8H2,1H3,(H,27,28)(H,30,31);3-6,8-12H,1-2,7H2,(H2,24,28)(H,26,27,29).

What are the key properties of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile?

N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile has a molecular weight of 949.69 g/mol, XLogP of 10.03, 15 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-amine;6-[3-[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 158281162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).