1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine

C25H30N8O — CID 149369981

About 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine

1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine (PubChem CID 149369981) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine.

Molecular Properties

• Compound Name: 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine
• PubChem CID: 149369981
• Molecular Formula: C25H30N8O
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.25
• IUPAC Name: 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine
• SMILES: CCOc1cc(-c2nncn2C)ccc1Cc1ncc2cc(C)nc(N3CC(N(C)C)C3)c2n1
• InChI: InChI=1S/C25H30N8O/c1-6-34-21-10-18(24-30-27-15-32(24)5)8-7-17(21)11-22-26-12-19-9-16(2)28-25(23(19)29-22)33-13-20(14-33)31(3)4/h7-10,12,15,20H,6,11,13-14H2,1-5H3
• InChIKey: YJPLATZIMNBGOD-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 85.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine?

The IUPAC name of 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine (CID 149369981) is 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine.

What is the SMILES notation for 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine?

The canonical SMILES for 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine is CCOc1cc(-c2nncn2C)ccc1Cc1ncc2cc(C)nc(N3CC(N(C)C)C3)c2n1.

What is the InChIKey of 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine?

The InChIKey is YJPLATZIMNBGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-6-34-21-10-18(24-30-27-15-32(24)5)8-7-17(21)11-22-26-12-19-9-16(2)28-25(23(19)29-22)33-13-20(14-33)31(3)4/h7-10,12,15,20H,6,11,13-14H2,1-5H3.

What are the key properties of 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine?

1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine has a molecular weight of 458.57 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 149369981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).