5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one

C13H10BrFN2O2 — CID 136813643

IUPAC5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(O)c(F)c2)nc(C2CC2)c1Br
InChIInChI=1S/C13H10BrFN2O2/c14-10-11(6-1-2-6)16-12(17-13(10)19)7-3-4-9(18)8(15)5-7/h3-6,18H,1-2H2,(H,16,17,19)
InChIKeyRTVJOCGLCKGFBG-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.92
Rot. Bonds2

About 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one

5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136813643) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
PubChem CID136813643
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(O)c(F)c2)nc(C2CC2)c1Br
InChIInChI=1S/C13H10BrFN2O2/c14-10-11(6-1-2-6)16-12(17-13(10)19)7-3-4-9(18)8(15)5-7/h3-6,18H,1-2H2,(H,16,17,19)
InChIKeyRTVJOCGLCKGFBG-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-cyclopentyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
CID 136813651
5-bromo-2-(4-bromo-3-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730044
5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
CID 136729711
5-bromo-4-cyclopropyl-2-[3-(difluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 137012840
5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730042
5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697
5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 136877795
2-(3-bromo-4-fluorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729890
5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66285156
5-bromo-2-(2-chloro-4-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729610
5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66311914
5-bromo-2-(2-bromo-5-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one (CID 136813643) is 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(O)c(F)c2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is RTVJOCGLCKGFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-10-11(6-1-2-6)16-12(17-13(10)19)7-3-4-9(18)8(15)5-7/h3-6,18H,1-2H2,(H,16,17,19).
What are the key properties of 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 325.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136813643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).