3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol

C26H33N7O2 — CID 24889763

About 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol

3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (PubChem CID 24889763) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.

Molecular Properties

• Compound Name: 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
• PubChem CID: 24889763
• Molecular Formula: C26H33N7O2
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.27
• IUPAC Name: 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol
• SMILES: CN(C)CCCNc1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)ccn1
• InChI: InChI=1S/C26H33N7O2/c1-31(2)11-4-9-27-23-18-20(7-10-28-23)33-12-8-22-24(19-5-3-6-21(34)17-19)29-26(30-25(22)33)32-13-15-35-16-14-32/h3,5-7,10,17-18,34H,4,8-9,11-16H2,1-2H3,(H,27,28)
• InChIKey: CQRBKAYCJGCRNP-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 89.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?

The IUPAC name of 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol (CID 24889763) is 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol.

What is the SMILES notation for 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?

The canonical SMILES for 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is CN(C)CCCNc1cc(N2CCc3c(-c4cccc(O)c4)nc(N4CCOCC4)nc32)ccn1.

What is the InChIKey of 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?

The InChIKey is CQRBKAYCJGCRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-31(2)11-4-9-27-23-18-20(7-10-28-23)33-12-8-22-24(19-5-3-6-21(34)17-19)29-26(30-25(22)33)32-13-15-35-16-14-32/h3,5-7,10,17-18,34H,4,8-9,11-16H2,1-2H3,(H,27,28).

What are the key properties of 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol?

3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol has a molecular weight of 475.60 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 24889763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).