5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one

C10H15FN2O2 — CID 136997701

IUPAC5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C10H15FN2O2/c1-4-5-7(15-3)9-12-6(2)8(11)10(14)13-9/h7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyRAEJRLOGEVCNMX-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.71
Rot. Bonds4

About 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one

5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997701) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136997701
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C10H15FN2O2/c1-4-5-7(15-3)9-12-6(2)8(11)10(14)13-9/h7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyRAEJRLOGEVCNMX-UHFFFAOYSA-N
XLogP1.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(3-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136228706
5-fluoro-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 136228721
2-(1-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228728
2-(ethoxymethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228748
2-(1,4-dioxan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228844
5-fluoro-4-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 136228867
5-fluoro-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136228886
5-fluoro-4-methyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136228887
5-fluoro-2-(1-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136283827
5-fluoro-2-(2-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136286916
5-fluoro-4-methyl-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136322938
5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136730196

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one (CID 136997701) is 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one is CCCC(OC)c1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RAEJRLOGEVCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-4-5-7(15-3)9-12-6(2)8(11)10(14)13-9/h7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 214.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).