N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide

C25H25BrF2N4O4 — CID 21090282

About N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide

N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 21090282) has the molecular formula C25H25BrF2N4O4 and a molecular weight of 563.40 g/mol. Its IUPAC name is N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide
• PubChem CID: 21090282
• Molecular Formula: C25H25BrF2N4O4
• Molecular Weight: 563.40 g/mol
• Exact Mass: 562.10
• IUPAC Name: N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide
• SMILES: Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(CNC(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C25H25BrF2N4O4/c1-16-30-23(36-15-19-6-7-20(27)12-21(19)28)22(26)24(33)32(16)14-18-4-2-17(3-5-18)13-29-25(34)31-8-10-35-11-9-31/h2-7,12H,8-11,13-15H2,1H3,(H,29,34)
• InChIKey: UIQPMTCIWAQZDH-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.40
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide?

The IUPAC name of N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide (CID 21090282) is N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide?

The canonical SMILES for N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide is Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(CNC(=O)N2CCOCC2)cc1.

What is the InChIKey of N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide?

The InChIKey is UIQPMTCIWAQZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrF2N4O4/c1-16-30-23(36-15-19-6-7-20(27)12-21(19)28)22(26)24(33)32(16)14-18-4-2-17(3-5-18)13-29-25(34)31-8-10-35-11-9-31/h2-7,12H,8-11,13-15H2,1H3,(H,29,34).

What are the key properties of N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide?

N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 563.40 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 21090282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).