4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one

C7H9FN2O2 — CID 136655212

IUPAC4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC)[nH]c(=O)c1F
InChIInChI=1S/C7H9FN2O2/c1-3-4-5(8)6(11)10-7(9-4)12-2/h3H2,1-2H3,(H,9,10,11)
InChIKeyHGIRILKYPIGOEI-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.48
Rot. Bonds2

About 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one

4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one (PubChem CID 136655212) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one
PubChem CID136655212
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC)[nH]c(=O)c1F
InChIInChI=1S/C7H9FN2O2/c1-3-4-5(8)6(11)10-7(9-4)12-2/h3H2,1-2H3,(H,9,10,11)
InChIKeyHGIRILKYPIGOEI-UHFFFAOYSA-N
XLogP0.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135490606
2-Chloro-6-ethyl-5-fluoropyrimidin-4(3H)-one
CID 135552953
ammonia; 2-chloro-6-ethyl-5-fluoro-1H-pyrimidin-4-one
CID 135932814
2-Chloro-6-ethyl-5-fluoro4-hydroxypyrimidine, ammonium salt
CID 137178918
6-ethyl-2-methoxy-4(3H)-pyrimidinone
CID 137224924

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one (CID 136655212) is 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one is CCc1nc(OC)[nH]c(=O)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one?
The InChIKey is HGIRILKYPIGOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-3-4-5(8)6(11)10-7(9-4)12-2/h3H2,1-2H3,(H,9,10,11).
What are the key properties of 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one?
4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one has a molecular weight of 172.16 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-2-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136655212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).