N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide

C24H27N9O3 — CID 143864714

About N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide

N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide (PubChem CID 143864714) has the molecular formula C24H27N9O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide
• PubChem CID: 143864714
• Molecular Formula: C24H27N9O3
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.22
• IUPAC Name: N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide
• SMILES: COCC(=O)NCCNc1nccc(-c2[nH]c(-c3ccc(CN)cc3)nc2-c2cnc(N)c(O)c2)n1
• InChI: InChI=1S/C24H27N9O3/c1-36-13-19(35)27-8-9-29-24-28-7-6-17(31-24)21-20(16-10-18(34)22(26)30-12-16)32-23(33-21)15-4-2-14(11-25)3-5-15/h2-7,10,12,34H,8-9,11,13,25H2,1H3,(H2,26,30)(H,27,35)(H,32,33)(H,28,29,31)
• InChIKey: JEKATSOHTWZDMI-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 189.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide?

The IUPAC name of N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide (CID 143864714) is N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide.

What is the SMILES notation for N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide?

The canonical SMILES for N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide is COCC(=O)NCCNc1nccc(-c2[nH]c(-c3ccc(CN)cc3)nc2-c2cnc(N)c(O)c2)n1.

What is the InChIKey of N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide?

The InChIKey is JEKATSOHTWZDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O3/c1-36-13-19(35)27-8-9-29-24-28-7-6-17(31-24)21-20(16-10-18(34)22(26)30-12-16)32-23(33-21)15-4-2-14(11-25)3-5-15/h2-7,10,12,34H,8-9,11,13,25H2,1H3,(H2,26,30)(H,27,35)(H,32,33)(H,28,29,31).

What are the key properties of N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide?

N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide has a molecular weight of 489.54 g/mol, XLogP of 1.52, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 143864714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).