5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

C25H32N10O — CID 45258864

About 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 45258864) has the molecular formula C25H32N10O and a molecular weight of 488.60 g/mol. Its IUPAC name is 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
• PubChem CID: 45258864
• Molecular Formula: C25H32N10O
• Molecular Weight: 488.60 g/mol
• Exact Mass: 488.28
• IUPAC Name: 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
• SMILES: CCN1CCN(c2cc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)ccn2)CC1
• InChI: InChI=1S/C25H32N10O/c1-2-32-7-9-33(10-8-32)21-15-19(3-5-27-21)35-6-4-20-22(18-16-28-24(26)29-17-18)30-25(31-23(20)35)34-11-13-36-14-12-34/h3,5,15-17H,2,4,6-14H2,1H3,(H2,26,28,29)
• InChIKey: MUGGOOOQAUXMIY-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 112.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.60
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?

The IUPAC name of 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 45258864) is 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

What is the SMILES notation for 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?

The canonical SMILES for 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is CCN1CCN(c2cc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)ccn2)CC1.

What is the InChIKey of 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?

The InChIKey is MUGGOOOQAUXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N10O/c1-2-32-7-9-33(10-8-32)21-15-19(3-5-27-21)35-6-4-20-22(18-16-28-24(26)29-17-18)30-25(31-23(20)35)34-11-13-36-14-12-34/h3,5,15-17H,2,4,6-14H2,1H3,(H2,26,28,29).

What are the key properties of 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?

5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 488.60 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 45258864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).