2-ethoxy-5-methyl-1H-pyrimidin-6-one

C7H10N2O2 — CID 3080732

IUPAC2-ethoxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-3-11-7-8-4-5(2)6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyOHQPGIMLIAEFMM-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.48
Rot. Bonds2

About 2-ethoxy-5-methyl-1H-pyrimidin-6-one

2-ethoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 3080732) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID3080732
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-ethoxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-3-11-7-8-4-5(2)6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyOHQPGIMLIAEFMM-UHFFFAOYSA-N
XLogP0.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxy-5-fluorouracil
CID 92041
O-2-Methylthymine
CID 160114
2-cyclopentyloxy-5-methyl-1H-pyrimidin-6-one
CID 11622493
5-Fluoro-2-propoxypyrimidin-4(3H)-one
CID 13061620
5-fluoro-2-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 140019059
6-amino-2-methoxy-5-methylpyrimidin-4(3H)-one
CID 135502011
2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one
CID 131843210
5-methyl-2-propoxy-1H-pyrimidin-6-one
CID 13845051
6-oxo-2-propan-2-yloxy-1H-pyrimidine-5-carbonitrile
CID 21525444
2-ethoxy-5-ethyl-1H-pyrimidin-6-one
CID 54182343
5-methyl-2-propan-2-yloxy-1H-pyrimidin-6-one
CID 54504972
5-methyl-6-oxo-1H-pyrimidin-2-olate
CID 59444585

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethoxy-5-methyl-1H-pyrimidin-6-one (CID 3080732) is 2-ethoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethoxy-5-methyl-1H-pyrimidin-6-one is CCOc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 2-ethoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is OHQPGIMLIAEFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-11-7-8-4-5(2)6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 2-ethoxy-5-methyl-1H-pyrimidin-6-one?
2-ethoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3080732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).