5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one

C18H20BrF2N3O3 — CID 21089652

IUPAC5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C18H20BrF2N3O3/c1-12-22-17(27-11-13-2-3-14(20)10-15(13)21)16(19)18(25)24(12)5-4-23-6-8-26-9-7-23/h2-3,10H,4-9,11H2,1H3
InChIKeyZUXDIQORYUYXMW-UHFFFAOYSA-N
MW444.28 g/mol
LogP2.50
Rot. Bonds6

About 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one

5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (PubChem CID 21089652) has the molecular formula C18H20BrF2N3O3 and a molecular weight of 444.28 g/mol. Its IUPAC name is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
PubChem CID21089652
Molecular FormulaC18H20BrF2N3O3
Molecular Weight444.28 g/mol
Exact Mass443.07
IUPAC Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C18H20BrF2N3O3/c1-12-22-17(27-11-13-2-3-14(20)10-15(13)21)16(19)18(25)24(12)5-4-23-6-8-26-9-7-23/h2-3,10H,4-9,11H2,1H3
InChIKeyZUXDIQORYUYXMW-UHFFFAOYSA-N
XLogP2.50
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (CID 21089652) is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1CCN1CCOCC1.
What is the InChIKey of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The InChIKey is ZUXDIQORYUYXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrF2N3O3/c1-12-22-17(27-11-13-2-3-14(20)10-15(13)21)16(19)18(25)24(12)5-4-23-6-8-26-9-7-23/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one has a molecular weight of 444.28 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 21089652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).