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

C11H17FN2O2 — CID 136997706

IUPAC5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H17FN2O2/c1-6-7(12)10(15)14-9(13-6)8(16-5)11(2,3)4/h8H,1-5H3,(H,13,14,15)
InChIKeyZDEBXBXPMRGVEQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.95
Rot. Bonds2

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

5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997706) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136997706
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)c(F)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H17FN2O2/c1-6-7(12)10(15)14-9(13-6)8(16-5)11(2,3)4/h8H,1-5H3,(H,13,14,15)
InChIKeyZDEBXBXPMRGVEQ-UHFFFAOYSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228728
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-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963827
2-(2-ethoxybutan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963828
5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963829
2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963831
2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983233
2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997697
2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997699
2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997700

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one (CID 136997706) is 5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one is COC(c1nc(C)c(F)c(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZDEBXBXPMRGVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-6-7(12)10(15)14-9(13-6)8(16-5)11(2,3)4/h8H,1-5H3,(H,13,14,15).
What are the key properties of 5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 228.27 g/mol, XLogP of 1.95, 2 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-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).