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

C25H29FN8O2 — CID 59244276

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

5-[7-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 59244276) has the molecular formula C25H29FN8O2 and a molecular weight of 492.56 g/mol. Its IUPAC name is 5-[7-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-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-ylmethyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
• PubChem CID: 59244276
• Molecular Formula: C25H29FN8O2
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.24
• IUPAC Name: 5-[7-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
• SMILES: Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(CN3CCOCC3)cc2F)cn1
• InChI: InChI=1S/C25H29FN8O2/c26-20-13-17(16-32-5-9-35-10-6-32)1-2-21(20)34-4-3-19-22(18-14-28-24(27)29-15-18)30-25(31-23(19)34)33-7-11-36-12-8-33/h1-2,13-15H,3-12,16H2,(H2,27,28,29)
• InChIKey: SOQGJELWEBZPQE-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 105.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-ylmethyl)phenyl]-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-ylmethyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 59244276) is 5-[7-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-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-ylmethyl)phenyl]-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-ylmethyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(CN3CCOCC3)cc2F)cn1.

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

The InChIKey is SOQGJELWEBZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O2/c26-20-13-17(16-32-5-9-35-10-6-32)1-2-21(20)34-4-3-19-22(18-14-28-24(27)29-15-18)30-25(31-23(19)34)33-7-11-36-12-8-33/h1-2,13-15H,3-12,16H2,(H2,27,28,29).

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

5-[7-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 492.56 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 59244276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).