6-chloro-5-fluoro-3-methylpyrimidin-4-one

C5H4ClFN2O — CID 133060787

IUPAC6-chloro-5-fluoro-3-methylpyrimidin-4-one
SMILESCn1cnc(Cl)c(F)c1=O
InChIInChI=1S/C5H4ClFN2O/c1-9-2-8-4(6)3(7)5(9)10/h2H,1H3
InChIKeyDSGAJJXICATQJV-UHFFFAOYSA-N
MW162.55 g/mol
LogP0.57
Rot. Bonds

About 6-chloro-5-fluoro-3-methylpyrimidin-4-one

6-chloro-5-fluoro-3-methylpyrimidin-4-one (PubChem CID 133060787) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-methylpyrimidin-4-one
PubChem CID133060787
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name6-chloro-5-fluoro-3-methylpyrimidin-4-one
SMILESCn1cnc(Cl)c(F)c1=O
InChIInChI=1S/C5H4ClFN2O/c1-9-2-8-4(6)3(7)5(9)10/h2H,1H3
InChIKeyDSGAJJXICATQJV-UHFFFAOYSA-N
XLogP0.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-fluoro-1-methylpyrimidin-4-one
CID 133060288
4-chloro-1,5-dimethylimidazole
CID 59999519
5-iodo-3,6-dimethylpyrimidin-4-one
CID 66342888
2-[(4-chloro-1-methyl-6-oxopyrimidin-5-yl)methyl]benzonitrile
CID 11550663
4-chloro-1-methyl-5-propan-2-ylimidazole
CID 146392537
6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 165149924
6-chloro-3-methylpteridin-4-one
CID 91621946
5-chloro-7-(iodomethyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 89391186
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
1,7-dimethylpurin-6-one;propane
CID 142357897
2-chloro-1,9-dimethylpurin-6-one
CID 127263212
(5-chloro-3-methylimidazol-4-yl) hydrogen sulfite
CID 174302184

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-5-fluoro-3-methylpyrimidin-4-one (CID 133060787) is 6-chloro-5-fluoro-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-fluoro-3-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-5-fluoro-3-methylpyrimidin-4-one is Cn1cnc(Cl)c(F)c1=O.
What is the InChIKey of 6-chloro-5-fluoro-3-methylpyrimidin-4-one?
The InChIKey is DSGAJJXICATQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c1-9-2-8-4(6)3(7)5(9)10/h2H,1H3.
What are the key properties of 6-chloro-5-fluoro-3-methylpyrimidin-4-one?
6-chloro-5-fluoro-3-methylpyrimidin-4-one has a molecular weight of 162.55 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-methylpyrimidin-4-one is sourced from PubChem (CID 133060787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).