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

C10H15FN2O2 — CID 136997705

IUPAC5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15FN2O2/c1-5(2)8(15-4)9-12-6(3)7(11)10(14)13-9/h5,8H,1-4H3,(H,12,13,14)
InChIKeyJYGGEALZNSESHR-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.56
Rot. Bonds3

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

5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997705) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136997705
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15FN2O2/c1-5(2)8(15-4)9-12-6(3)7(11)10(14)13-9/h5,8H,1-4H3,(H,12,13,14)
InChIKeyJYGGEALZNSESHR-UHFFFAOYSA-N
XLogP1.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-2-isobutyl-6-methylpyrimidin-4(1H)-one
CID 136228697
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
2-butan-2-yl-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136238459
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-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136730196
5-fluoro-2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930634
5-fluoro-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963827

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one (CID 136997705) is 5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one is COC(c1nc(C)c(F)c(=O)[nH]1)C(C)C.
What is the InChIKey of 5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JYGGEALZNSESHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-5(2)8(15-4)9-12-6(3)7(11)10(14)13-9/h5,8H,1-4H3,(H,12,13,14).
What are the key properties of 5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 214.24 g/mol, XLogP of 1.56, 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-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).