1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea

C25H24N4O5 — CID 46356093

About 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea

1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (PubChem CID 46356093) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.

Molecular Properties

• Compound Name: 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
• PubChem CID: 46356093
• Molecular Formula: C25H24N4O5
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.17
• IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
• SMILES: COc1ccc(OC)c(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c1
• InChI: InChI=1S/C25H24N4O5/c1-16-7-6-12-29-23(30)13-17(26-24(16)29)15-34-22-9-5-4-8-19(22)27-25(31)28-20-14-18(32-2)10-11-21(20)33-3/h4-14H,15H2,1-3H3,(H2,27,28,31)
• InChIKey: KWZRTHXQTXFRJO-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (CID 46356093) is 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.

What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is COc1ccc(OC)c(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c1.

What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

The InChIKey is KWZRTHXQTXFRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-16-7-6-12-29-23(30)13-17(26-24(16)29)15-34-22-9-5-4-8-19(22)27-25(31)28-20-14-18(32-2)10-11-21(20)33-3/h4-14H,15H2,1-3H3,(H2,27,28,31).

What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea has a molecular weight of 460.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is sourced from PubChem (CID 46356093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).