2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one

C10H16N2O2 — CID 116705571

IUPAC2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
SMILESCOC(c1nccc(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(14-4)9-11-6-5-7(13)12-9/h5-6,8H,1-4H3,(H,11,12,13)
InChIKeyAGAYBQGPDZZHLE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.50
Rot. Bonds2

About 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one

2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one (PubChem CID 116705571) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
PubChem CID116705571
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
SMILESCOC(c1nccc(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(14-4)9-11-6-5-7(13)12-9/h5-6,8H,1-4H3,(H,11,12,13)
InChIKeyAGAYBQGPDZZHLE-UHFFFAOYSA-N
XLogP1.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-(1-Acetoxy-ethyl)-3H-pyrimidin-4-one
CID 11105982
2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 20689207
1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
CID 22328641
2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202604
2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrimidin-6-one
CID 129255789
ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate
CID 139934753
2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 140930143
2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
CID 10855682
2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 64540254
2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249107
5-(aminomethyl)-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 113558363
2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206207

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one (CID 116705571) is 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one is COC(c1nccc(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The InChIKey is AGAYBQGPDZZHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)8(14-4)9-11-6-5-7(13)12-9/h5-6,8H,1-4H3,(H,11,12,13).
What are the key properties of 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).