2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol

C24H27N7O2 — CID 10343482

About 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol

2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol (PubChem CID 10343482) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol
• PubChem CID: 10343482
• Molecular Formula: C24H27N7O2
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.22
• IUPAC Name: 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol
• SMILES: CN(CCO)CCCOc1cccc(Nc2nccc(-c3cnc(-c4cccnc4)[nH]3)n2)c1
• InChI: InChI=1S/C24H27N7O2/c1-31(12-13-32)11-4-14-33-20-7-2-6-19(15-20)28-24-26-10-8-21(30-24)22-17-27-23(29-22)18-5-3-9-25-16-18/h2-3,5-10,15-17,32H,4,11-14H2,1H3,(H,27,29)(H,26,28,30)
• InChIKey: FAXYNRZEMUHCRK-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 112.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol?

The IUPAC name of 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol (CID 10343482) is 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol.

What is the SMILES notation for 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol?

The canonical SMILES for 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol is CN(CCO)CCCOc1cccc(Nc2nccc(-c3cnc(-c4cccnc4)[nH]3)n2)c1.

What is the InChIKey of 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol?

The InChIKey is FAXYNRZEMUHCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-31(12-13-32)11-4-14-33-20-7-2-6-19(15-20)28-24-26-10-8-21(30-24)22-17-27-23(29-22)18-5-3-9-25-16-18/h2-3,5-10,15-17,32H,4,11-14H2,1H3,(H,27,29)(H,26,28,30).

What are the key properties of 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol?

2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol has a molecular weight of 445.53 g/mol, XLogP of 3.37, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[3-[3-[[4-(2-pyridin-3-yl-1H-imidazol-5-yl)pyrimidin-2-yl]amino]phenoxy]propyl]amino]ethanol is sourced from PubChem (CID 10343482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).