2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one

C10H16N2O2 — CID 116705565

IUPAC2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1nccc(=O)[nH]1)C(C)C
InChIInChI=1S/C10H16N2O2/c1-4-14-9(7(2)3)10-11-6-5-8(13)12-10/h5-7,9H,4H2,1-3H3,(H,11,12,13)
InChIKeyFOYHFLALZMUZJJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.50
Rot. Bonds4

About 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one

2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 116705565) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID116705565
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1nccc(=O)[nH]1)C(C)C
InChIInChI=1S/C10H16N2O2/c1-4-14-9(7(2)3)10-11-6-5-8(13)12-10/h5-7,9H,4H2,1-3H3,(H,11,12,13)
InChIKeyFOYHFLALZMUZJJ-UHFFFAOYSA-N
XLogP1.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-Butyryloxy-ethyl)-3H-pyrimidin-4-one
CID 10910803
(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
1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate
CID 22328645
1-(s)-(4-Hydroxy-pyrimidin-2-yl)-ethyl butyrate
CID 54317907
2-(Ethoxymethyl)pyrimidin-4-ol
CID 65667549
2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202604
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one (CID 116705565) is 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one is CCOC(c1nccc(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is FOYHFLALZMUZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-14-9(7(2)3)10-11-6-5-8(13)12-10/h5-7,9H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one?
2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).