1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea

C26H26N4O3 — CID 46356469

About 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea

1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (PubChem CID 46356469) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.

Molecular Properties

• Compound Name: 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
• PubChem CID: 46356469
• Molecular Formula: C26H26N4O3
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.20
• IUPAC Name: 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
• SMILES: CCc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1
• InChI: InChI=1S/C26H26N4O3/c1-4-19-6-9-20(10-7-19)28-26(32)29-21-8-5-18(3)23(14-21)33-16-22-15-25(31)30-12-11-17(2)13-24(30)27-22/h5-15H,4,16H2,1-3H3,(H2,28,29,32)
• InChIKey: MVKITUVEZYSDER-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

The IUPAC name of 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (CID 46356469) is 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.

What is the SMILES notation for 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

The canonical SMILES for 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is CCc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1.

What is the InChIKey of 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

The InChIKey is MVKITUVEZYSDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-4-19-6-9-20(10-7-19)28-26(32)29-21-8-5-18(3)23(14-21)33-16-22-15-25(31)30-12-11-17(2)13-24(30)27-22/h5-15H,4,16H2,1-3H3,(H2,28,29,32).

What are the key properties of 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea has a molecular weight of 442.52 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is sourced from PubChem (CID 46356469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).