2-ethoxy-3-methylpyrimidin-4-one

C7H10N2O2 — CID 11622367

IUPAC2-ethoxy-3-methylpyrimidin-4-one
SMILESCCOc1nccc(=O)n1C
InChIInChI=1S/C7H10N2O2/c1-3-11-7-8-5-4-6(10)9(7)2/h4-5H,3H2,1-2H3
InChIKeyQCRMQIQLFHQOHU-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.18
Rot. Bonds2

About 2-ethoxy-3-methylpyrimidin-4-one

2-ethoxy-3-methylpyrimidin-4-one (PubChem CID 11622367) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethoxy-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-ethoxy-3-methylpyrimidin-4-one
PubChem CID11622367
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-ethoxy-3-methylpyrimidin-4-one
SMILESCCOc1nccc(=O)n1C
InChIInChI=1S/C7H10N2O2/c1-3-11-7-8-5-4-6(10)9(7)2/h4-5H,3H2,1-2H3
InChIKeyQCRMQIQLFHQOHU-UHFFFAOYSA-N
XLogP0.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylpyrimidin-4(3H)-one
CID 301417
2-Methoxy-3-methyl-4(3H)-pyrimidinone
CID 21577889
2-Methoxy-1-methylpyrimidin-4(1h)-one
CID 21577895
1-Ethylpyrimidin-4-one
CID 426506
2-Ethoxypyrimidin-4-ol
CID 3729582
Oxazolo[3,2-a]pyrimidin-5-one
CID 18918885
3-Ethylpyrimidin-4-one
CID 303829
2-Ethoxy-3-ethylpyrimidin-4-one
CID 141615398
Ethoxypyrimidin-4(1h)-one
CID 129707408
3-(2,2,2-Trifluoroethoxymethyl)pyrimidin-4-one
CID 106706331
1,3-Dimethyl-4-oxo-3,4-dihydropyrimidin-1-ium iodide
CID 24195301
3-Ethyl-2-methoxypyrimidin-4-one
CID 21627124

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylpyrimidin-4-one?
The IUPAC name of 2-ethoxy-3-methylpyrimidin-4-one (CID 11622367) is 2-ethoxy-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-ethoxy-3-methylpyrimidin-4-one?
The canonical SMILES for 2-ethoxy-3-methylpyrimidin-4-one is CCOc1nccc(=O)n1C.
What is the InChIKey of 2-ethoxy-3-methylpyrimidin-4-one?
The InChIKey is QCRMQIQLFHQOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-11-7-8-5-4-6(10)9(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-3-methylpyrimidin-4-one?
2-ethoxy-3-methylpyrimidin-4-one has a molecular weight of 154.17 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylpyrimidin-4-one is sourced from PubChem (CID 11622367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).