4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

C21H27N5O — CID 168923447

About 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 168923447) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
• PubChem CID: 168923447
• Molecular Formula: C21H27N5O
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.22
• IUPAC Name: 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
• SMILES: CN1CCC(c2nc(N3CCOCC3)nc3c2CCN3c2ccccc2)C1
• InChI: InChI=1S/C21H27N5O/c1-24-9-7-16(15-24)19-18-8-10-26(17-5-3-2-4-6-17)20(18)23-21(22-19)25-11-13-27-14-12-25/h2-6,16H,7-15H2,1H3
• InChIKey: XNZZRPHOPUFAGB-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 44.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?

The IUPAC name of 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 168923447) is 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

What is the SMILES notation for 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?

The canonical SMILES for 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is CN1CCC(c2nc(N3CCOCC3)nc3c2CCN3c2ccccc2)C1.

What is the InChIKey of 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?

The InChIKey is XNZZRPHOPUFAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24-9-7-16(15-24)19-18-8-10-26(17-5-3-2-4-6-17)20(18)23-21(22-19)25-11-13-27-14-12-25/h2-6,16H,7-15H2,1H3.

What are the key properties of 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?

4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 365.48 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 168923447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).