8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H36N4O3 — CID 95831077

About 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 95831077) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 95831077
• Molecular Formula: C25H36N4O3
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.28
• IUPAC Name: 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• SMILES: COCCCN1C(=O)CCc2c(C)nc(CN(C)Cc3c(C)cc(OC)c(C)c3C)nc21
• InChI: InChI=1S/C25H36N4O3/c1-16-13-22(32-7)18(3)17(2)21(16)14-28(5)15-23-26-19(4)20-9-10-24(30)29(25(20)27-23)11-8-12-31-6/h13H,8-12,14-15H2,1-7H3
• InChIKey: XLAXNTWIVKYYAI-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 67.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 95831077) is 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COCCCN1C(=O)CCc2c(C)nc(CN(C)Cc3c(C)cc(OC)c(C)c3C)nc21.

What is the InChIKey of 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The InChIKey is XLAXNTWIVKYYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-16-13-22(32-7)18(3)17(2)21(16)14-28(5)15-23-26-19(4)20-9-10-24(30)29(25(20)27-23)11-8-12-31-6/h13H,8-12,14-15H2,1-7H3.

What are the key properties of 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 440.59 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-methoxypropyl)-2-[[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 95831077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).