5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one

C7H6BrFN2O — CID 166981881

IUPAC5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1[C@@H]1C[C@@H]1F
InChIInChI=1S/C7H6BrFN2O/c8-4-2-10-3-11(7(4)12)6-1-5(6)9/h2-3,5-6H,1H2/t5-,6+/m0/s1
InChIKeyPKFMGXWAHSBQPH-NTSWFWBYSA-N
MW233.04 g/mol
LogP1.29
Rot. Bonds1

About 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one

5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one (PubChem CID 166981881) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one
PubChem CID166981881
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1[C@@H]1C[C@@H]1F
InChIInChI=1S/C7H6BrFN2O/c8-4-2-10-3-11(7(4)12)6-1-5(6)9/h2-3,5-6H,1H2/t5-,6+/m0/s1
InChIKeyPKFMGXWAHSBQPH-NTSWFWBYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-(2,2,2-trifluoroethyl)-3,4-dihydropyrimidin-4-one
CID 66307880
5-Bromo-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 66308916
5-Bromo-3-(3-fluorocyclobutyl)pyrimidin-4-one
CID 166981744
5-Bromo-3-(3,3-difluorocyclobutyl)pyrimidin-4-one
CID 166981877
5-bromo-3-[(2S)-2-fluorocyclopropyl]pyrimidin-4-one
CID 170654480
5-bromo-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-one
CID 170654509
5-bromo-3-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-one
CID 170654516
5-Bromo-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 66310852
5-Bromo-3-(2-fluoroethyl)pyrimidin-4-one
CID 80694151
5-Bromo-3-(3-fluoropropyl)pyrimidin-4-one
CID 81113542
5-Bromo-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 115517827
5-Bromo-3-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-one
CID 130162713

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one (CID 166981881) is 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one is O=c1c(Br)cncn1[C@@H]1C[C@@H]1F.
What is the InChIKey of 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one?
The InChIKey is PKFMGXWAHSBQPH-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c8-4-2-10-3-11(7(4)12)6-1-5(6)9/h2-3,5-6H,1H2/t5-,6+/m0/s1.
What are the key properties of 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one?
5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one has a molecular weight of 233.04 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1R,2S)-2-fluorocyclopropyl]pyrimidin-4-one is sourced from PubChem (CID 166981881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).