5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one

C15H14BrFN2O2 — CID 21089621

IUPAC5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ncn1CC1CC1
InChIInChI=1S/C15H14BrFN2O2/c16-13-14(21-8-11-3-5-12(17)6-4-11)18-9-19(15(13)20)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2
InChIKeyKJHPYACJVVIGPE-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.13
Rot. Bonds5

About 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one

5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one (PubChem CID 21089621) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
PubChem CID21089621
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ncn1CC1CC1
InChIInChI=1S/C15H14BrFN2O2/c16-13-14(21-8-11-3-5-12(17)6-4-11)18-9-19(15(13)20)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2
InChIKeyKJHPYACJVVIGPE-UHFFFAOYSA-N
XLogP3.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11516001
5-bromo-6-(4'-trifluoromethylbenzyloxy)-3-methyl-4(3H)-pyrimidinone
CID 14276128
3-[[3-(Aminomethyl)-2-fluorophenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one
CID 21089176
3-[[3-(Aminomethyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one
CID 21089180
3-[[3-(Aminomethyl)phenyl]methyl]-5-bromo-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
CID 21089181
6-[(4-Fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 21089220
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-(1-methylpiperidin-4-yl)-3-prop-2-enylpyrimidin-4-one
CID 21089324
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089325
3-Benzyl-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089335
3-Benzyl-5-bromo-6-[[2-(trifluoromethyl)phenyl]methoxy]pyrimidin-4-one
CID 21089340
4-[[5-Bromo-1-[(3-fluorophenyl)methyl]-6-oxopyrimidin-4-yl]oxymethyl]benzonitrile
CID 21089400
4-[[5-Bromo-4-[(4-fluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 21089437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one (CID 21089621) is 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one is O=c1c(Br)c(OCc2ccc(F)cc2)ncn1CC1CC1.
What is the InChIKey of 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one?
The InChIKey is KJHPYACJVVIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-13-14(21-8-11-3-5-12(17)6-4-11)18-9-19(15(13)20)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one?
5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one has a molecular weight of 353.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopropylmethyl)-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one is sourced from PubChem (CID 21089621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).