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

C25H24N4O4 — CID 46356200

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

1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (PubChem CID 46356200) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.

Molecular Properties

• Compound Name: 1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
• PubChem CID: 46356200
• Molecular Formula: C25H24N4O4
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.18
• IUPAC Name: 1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
• SMILES: COc1ccc(C)cc1NC(=O)Nc1ccc(OCc2cc(=O)n3cccc(C)c3n2)cc1
• InChI: InChI=1S/C25H24N4O4/c1-16-6-11-22(32-3)21(13-16)28-25(31)27-18-7-9-20(10-8-18)33-15-19-14-23(30)29-12-4-5-17(2)24(29)26-19/h4-14H,15H2,1-3H3,(H2,27,28,31)
• InChIKey: GMPAFTZLCYXFLP-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (CID 46356200) is 1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.

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

The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is COc1ccc(C)cc1NC(=O)Nc1ccc(OCc2cc(=O)n3cccc(C)c3n2)cc1.

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

The InChIKey is GMPAFTZLCYXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-16-6-11-22(32-3)21(13-16)28-25(31)27-18-7-9-20(10-8-18)33-15-19-14-23(30)29-12-4-5-17(2)24(29)26-19/h4-14H,15H2,1-3H3,(H2,27,28,31).

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

1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea has a molecular weight of 444.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is sourced from PubChem (CID 46356200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).