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

C11H18N2O2 — CID 116705563

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1nccc(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-5-15-9(11(2,3)4)10-12-7-6-8(14)13-10/h6-7,9H,5H2,1-4H3,(H,12,13,14)
InChIKeyPVYCTWFYEWBMCZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.89
Rot. Bonds3

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

2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one (PubChem CID 116705563) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
PubChem CID116705563
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1nccc(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-5-15-9(11(2,3)4)10-12-7-6-8(14)13-10/h6-7,9H,5H2,1-4H3,(H,12,13,14)
InChIKeyPVYCTWFYEWBMCZ-UHFFFAOYSA-N
XLogP1.89
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.89
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-(oxetan-2-yl)-1H-pyrimidin-6-one
CID 141386268
2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
CID 10855682
2-(propoxymethyl)-1H-pyrimidin-6-one
CID 61812646
2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 64540254
2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79669293

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one (CID 116705563) is 2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one is CCOC(c1nccc(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The InChIKey is PVYCTWFYEWBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-15-9(11(2,3)4)10-12-7-6-8(14)13-10/h6-7,9H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).