5-bromo-4-fluoro-1H-pyrimidin-6-one

C4H2BrFN2O — CID 153319509

IUPAC5-bromo-4-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(F)c1Br
InChIInChI=1S/C4H2BrFN2O/c5-2-3(6)7-1-8-4(2)9/h1H,(H,7,8,9)
InChIKeyNMEMSBMCCDPGMQ-UHFFFAOYSA-N
MW192.97 g/mol
LogP0.67
Rot. Bonds

About 5-bromo-4-fluoro-1H-pyrimidin-6-one

5-bromo-4-fluoro-1H-pyrimidin-6-one (PubChem CID 153319509) has the molecular formula C4H2BrFN2O and a molecular weight of 192.97 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-fluoro-1H-pyrimidin-6-one
PubChem CID153319509
Molecular FormulaC4H2BrFN2O
Molecular Weight192.97 g/mol
Exact Mass191.93
IUPAC Name5-bromo-4-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(F)c1Br
InChIInChI=1S/C4H2BrFN2O/c5-2-3(6)7-1-8-4(2)9/h1H,(H,7,8,9)
InChIKeyNMEMSBMCCDPGMQ-UHFFFAOYSA-N
XLogP0.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.97
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4(3H)-Pyrimidinone, 5-bromo-
CID 88256
5-Bromo-6-(trifluoromethyl)pyrimidin-4-ol
CID 135424600
6-Bromo-5-fluoropyrimidin-4(3H)-one
CID 135741841
5,6-Difluoropyrimidin-4-ol
CID 136367031
6-Amino-5-bromopyrimidin-4(3H)-one
CID 135536918
5-Bromo-4,6-dihydroxypyrimidine
CID 5098514
5-bromo-6-(difluoromethyl)pyrimidin-4(3H)-one
CID 136408025
5-bromo-4-[fluoro(iodo)methyl]-1H-pyrimidin-6-one
CID 136980568
5-fluoro-6-oxo-1H-pyrimidin-4-olate
CID 29935606
6-Amino-5-fluoropyrimidin-4(1H)-one
CID 135538205
5-bromo-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955983
5-bromo-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136957013

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-fluoro-1H-pyrimidin-6-one (CID 153319509) is 5-bromo-4-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-fluoro-1H-pyrimidin-6-one is O=c1[nH]cnc(F)c1Br.
What is the InChIKey of 5-bromo-4-fluoro-1H-pyrimidin-6-one?
The InChIKey is NMEMSBMCCDPGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrFN2O/c5-2-3(6)7-1-8-4(2)9/h1H,(H,7,8,9).
What are the key properties of 5-bromo-4-fluoro-1H-pyrimidin-6-one?
5-bromo-4-fluoro-1H-pyrimidin-6-one has a molecular weight of 192.97 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 153319509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).