2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine

C46H52F2N14O2 — CID 159808794

About 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine

2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine (PubChem CID 159808794) has the molecular formula C46H52F2N14O2 and a molecular weight of 871.01 g/mol. Its IUPAC name is 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
• PubChem CID: 159808794
• Molecular Formula: C46H52F2N14O2
• Molecular Weight: 871.01 g/mol
• Exact Mass: 870.44
• IUPAC Name: 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
• SMILES: CCC1CN(c2cc(F)cc(N3CCc4nc(-c5ncccn5)ncc4C3C)n2)CCO1.CCC1CN(c2cc(F)nc(N3CCc4nc(-c5ncccn5)ncc4C3C)c2)CCO1
• InChI: InChI=1S/2C23H26FN7O/c1-3-17-14-30(9-10-32-17)16-11-20(24)29-21(12-16)31-8-5-19-18(15(31)2)13-27-23(28-19)22-25-6-4-7-26-22;1-3-17-14-30(9-10-32-17)20-11-16(24)12-21(29-20)31-8-5-19-18(15(31)2)13-27-23(28-19)22-25-6-4-7-26-22/h2*4,6-7,11-13,15,17H,3,5,8-10,14H2,1-2H3
• InChIKey: NKTDKHFJRFPVKT-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 160.32 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.01
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine?

The IUPAC name of 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine (CID 159808794) is 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine.

What is the SMILES notation for 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine?

The canonical SMILES for 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine is CCC1CN(c2cc(F)cc(N3CCc4nc(-c5ncccn5)ncc4C3C)n2)CCO1.CCC1CN(c2cc(F)nc(N3CCc4nc(-c5ncccn5)ncc4C3C)c2)CCO1.

What is the InChIKey of 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine?

The InChIKey is NKTDKHFJRFPVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26FN7O/c1-3-17-14-30(9-10-32-17)16-11-20(24)29-21(12-16)31-8-5-19-18(15(31)2)13-27-23(28-19)22-25-6-4-7-26-22;1-3-17-14-30(9-10-32-17)20-11-16(24)12-21(29-20)31-8-5-19-18(15(31)2)13-27-23(28-19)22-25-6-4-7-26-22/h2*4,6-7,11-13,15,17H,3,5,8-10,14H2,1-2H3.

What are the key properties of 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine?

2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine has a molecular weight of 871.01 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 159808794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).