N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine

C28H38N6O4 — CID 59776884

About N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine

N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 59776884) has the molecular formula C28H38N6O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

• Compound Name: N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine
• PubChem CID: 59776884
• Molecular Formula: C28H38N6O4
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.30
• IUPAC Name: N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine
• SMILES: COCCNCc1cc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)ccc1OC
• InChI: InChI=1S/C28H38N6O4/c1-19-17-34(18-20(2)38-19)28-31-26-23(27(32-28)33-10-13-37-14-11-33)6-7-24(30-26)21-5-8-25(36-4)22(15-21)16-29-9-12-35-3/h5-8,15,19-20,29H,9-14,16-18H2,1-4H3/t19-,20+
• InChIKey: AXHRYBCHWLOBEE-BGYRXZFFSA-N
• XLogP: 2.89
• TPSA: 94.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine?

The IUPAC name of N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine (CID 59776884) is N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine.

What is the SMILES notation for N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine?

The canonical SMILES for N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)ccc1OC.

What is the InChIKey of N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine?

The InChIKey is AXHRYBCHWLOBEE-BGYRXZFFSA-N. The full InChI is InChI=1S/C28H38N6O4/c1-19-17-34(18-20(2)38-19)28-31-26-23(27(32-28)33-10-13-37-14-11-33)6-7-24(30-26)21-5-8-25(36-4)22(15-21)16-29-9-12-35-3/h5-8,15,19-20,29H,9-14,16-18H2,1-4H3/t19-,20+.

What are the key properties of N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine?

N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 522.65 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 59776884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).