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

C24H19F3N4O3 — CID 46356336

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

1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 46356336) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
• PubChem CID: 46356336
• Molecular Formula: C24H19F3N4O3
• Molecular Weight: 468.44 g/mol
• Exact Mass: 468.14
• IUPAC Name: 1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
• SMILES: Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccccc3C(F)(F)F)nc2c1
• InChI: InChI=1S/C24H19F3N4O3/c1-15-10-11-31-21(12-15)28-16(13-22(31)32)14-34-20-9-5-4-8-19(20)30-23(33)29-18-7-3-2-6-17(18)24(25,26)27/h2-13H,14H2,1H3,(H2,29,30,33)
• InChIKey: NKKUMSUBGAZTIY-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.44
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 46356336) is 1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea.

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

The canonical SMILES for 1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea is Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccccc3C(F)(F)F)nc2c1.

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

The InChIKey is NKKUMSUBGAZTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-15-10-11-31-21(12-15)28-16(13-22(31)32)14-34-20-9-5-4-8-19(20)30-23(33)29-18-7-3-2-6-17(18)24(25,26)27/h2-13H,14H2,1H3,(H2,29,30,33).

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

1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 468.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 46356336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).