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

C23H26FN7O2 — CID 139381247

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

4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine (PubChem CID 139381247) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine.

Molecular Properties

• Compound Name: 4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine
• PubChem CID: 139381247
• Molecular Formula: C23H26FN7O2
• Molecular Weight: 451.51 g/mol
• Exact Mass: 451.21
• IUPAC Name: 4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine
• SMILES: COCC1CN(c2cc(F)cc(N3CCc4nc(-c5ncccn5)ncc4C3C)n2)CCO1
• InChI: InChI=1S/C23H26FN7O2/c1-15-18-12-27-23(22-25-5-3-6-26-22)28-19(18)4-7-31(15)21-11-16(24)10-20(29-21)30-8-9-33-17(13-30)14-32-2/h3,5-6,10-12,15,17H,4,7-9,13-14H2,1-2H3
• InChIKey: MQXUORKYLTVMDD-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 89.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.51
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine (CID 139381247) is 4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine.

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

The canonical SMILES for 4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine is COCC1CN(c2cc(F)cc(N3CCc4nc(-c5ncccn5)ncc4C3C)n2)CCO1.

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

The InChIKey is MQXUORKYLTVMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-15-18-12-27-23(22-25-5-3-6-26-22)28-19(18)4-7-31(15)21-11-16(24)10-20(29-21)30-8-9-33-17(13-30)14-32-2/h3,5-6,10-12,15,17H,4,7-9,13-14H2,1-2H3.

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

4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine has a molecular weight of 451.51 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine is sourced from PubChem (CID 139381247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).