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

C25H31FN8O2 — CID 67386137

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

azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 67386137) has the molecular formula C25H31FN8O2 and a molecular weight of 494.58 g/mol. Its IUPAC name is azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
• PubChem CID: 67386137
• Molecular Formula: C25H31FN8O2
• Molecular Weight: 494.58 g/mol
• Exact Mass: 494.26
• IUPAC Name: azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
• SMILES: Fc1ccc(CN2CCOCC2)cc1N1CCc2c(-c3cncnc3)nc(N3CCOCC3)nc21.N
• InChI: InChI=1S/C25H28FN7O2.H3N/c26-21-2-1-18(16-31-5-9-34-10-6-31)13-22(21)33-4-3-20-23(19-14-27-17-28-15-19)29-25(30-24(20)33)32-7-11-35-12-8-32;/h1-2,13-15,17H,3-12,16H2;1H3
• InChIKey: FMCUANDBNLOFPD-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 114.74 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	494.58
LogP ≤ 5	2.60
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 azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?

The IUPAC name of azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 67386137) is azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

What is the SMILES notation for azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?

The canonical SMILES for azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is Fc1ccc(CN2CCOCC2)cc1N1CCc2c(-c3cncnc3)nc(N3CCOCC3)nc21.N.

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

The InChIKey is FMCUANDBNLOFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2.H3N/c26-21-2-1-18(16-31-5-9-34-10-6-31)13-22(21)33-4-3-20-23(19-14-27-17-28-15-19)29-25(30-24(20)33)32-7-11-35-12-8-32;/h1-2,13-15,17H,3-12,16H2;1H3.

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

azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 494.58 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for azane;4-[7-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 67386137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).