5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one

C18H20BrF2N3O3 — CID 69367641

IUPAC5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1c(N2CCOCC2)nc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C18H20BrF2N3O3/c1-11(2)24-17(25)15(19)16(22-18(24)23-5-7-26-8-6-23)27-10-12-3-4-13(20)9-14(12)21/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyMWHRLCFJNFNBGL-UHFFFAOYSA-N
MW444.28 g/mol
LogP3.28
Rot. Bonds5

About 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one

5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one (PubChem CID 69367641) 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-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one
PubChem CID69367641
Molecular FormulaC18H20BrF2N3O3
Molecular Weight444.28 g/mol
Exact Mass443.07
IUPAC Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1c(N2CCOCC2)nc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C18H20BrF2N3O3/c1-11(2)24-17(25)15(19)16(22-18(24)23-5-7-26-8-6-23)27-10-12-3-4-13(20)9-14(12)21/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyMWHRLCFJNFNBGL-UHFFFAOYSA-N
XLogP3.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.28
LogP ≤ 53.28
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-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one (CID 69367641) is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one is CC(C)n1c(N2CCOCC2)nc(OCc2ccc(F)cc2F)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is MWHRLCFJNFNBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrF2N3O3/c1-11(2)24-17(25)15(19)16(22-18(24)23-5-7-26-8-6-23)27-10-12-3-4-13(20)9-14(12)21/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one?
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 444.28 g/mol, XLogP of 3.28, 5 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-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 69367641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).