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

C9H13FN2O2 — CID 136997702

IUPAC5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(OC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C9H13FN2O2/c1-4-6(14-3)8-11-5(2)7(10)9(13)12-8/h6H,4H2,1-3H3,(H,11,12,13)
InChIKeyZVWXOLZCQCELEI-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.31
Rot. Bonds3

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

5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997702) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136997702
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(OC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C9H13FN2O2/c1-4-6(14-3)8-11-5(2)7(10)9(13)12-8/h6H,4H2,1-3H3,(H,11,12,13)
InChIKeyZVWXOLZCQCELEI-UHFFFAOYSA-N
XLogP1.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.31
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-yl)-1H-pyrimidin-6-one
CID 136228887
5-fluoro-2-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136228905
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-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136293539
2-(4-ethylmorpholin-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136295876

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one (CID 136997702) is 5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one is CCC(OC)c1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZVWXOLZCQCELEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-4-6(14-3)8-11-5(2)7(10)9(13)12-8/h6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 200.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).