5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

C24H27FN8O4S — CID 59244229

About 5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 59244229) has the molecular formula C24H27FN8O4S and a molecular weight of 542.60 g/mol. Its IUPAC name is 5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
• PubChem CID: 59244229
• Molecular Formula: C24H27FN8O4S
• Molecular Weight: 542.60 g/mol
• Exact Mass: 542.19
• IUPAC Name: 5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
• SMILES: Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(S(=O)(=O)N3CCOCC3)cc2F)cn1
• InChI: InChI=1S/C24H27FN8O4S/c25-19-13-17(38(34,35)32-7-11-37-12-8-32)1-2-20(19)33-4-3-18-21(16-14-27-23(26)28-15-16)29-24(30-22(18)33)31-5-9-36-10-6-31/h1-2,13-15H,3-12H2,(H2,26,27,28)
• InChIKey: UBUZOTMQUXKCBA-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 139.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.60
LogP ≤ 5	1.21
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-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?

The IUPAC name of 5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 59244229) is 5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-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-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?

The canonical SMILES for 5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(S(=O)(=O)N3CCOCC3)cc2F)cn1.

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

The InChIKey is UBUZOTMQUXKCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O4S/c25-19-13-17(38(34,35)32-7-11-37-12-8-32)1-2-20(19)33-4-3-18-21(16-14-27-23(26)28-15-16)29-24(30-22(18)33)31-5-9-36-10-6-31/h1-2,13-15H,3-12H2,(H2,26,27,28).

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

5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 542.60 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(2-fluoro-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 59244229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).