2-ethoxy-3-ethyl-5-methylpyrimidin-4-one

C9H14N2O2 — CID 102469190

IUPAC2-ethoxy-3-ethyl-5-methylpyrimidin-4-one
SMILESCCOc1ncc(C)c(=O)n1CC
InChIInChI=1S/C9H14N2O2/c1-4-11-8(12)7(3)6-10-9(11)13-5-2/h6H,4-5H2,1-3H3
InChIKeyPQGRGCKCKKCZCF-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.97
Rot. Bonds3

About 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one

2-ethoxy-3-ethyl-5-methylpyrimidin-4-one (PubChem CID 102469190) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-5-methylpyrimidin-4-one
PubChem CID102469190
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-ethoxy-3-ethyl-5-methylpyrimidin-4-one
SMILESCCOc1ncc(C)c(=O)n1CC
InChIInChI=1S/C9H14N2O2/c1-4-11-8(12)7(3)6-10-9(11)13-5-2/h6H,4-5H2,1-3H3
InChIKeyPQGRGCKCKKCZCF-UHFFFAOYSA-N
XLogP0.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2H-oxazolo[3,2-a]pyrimidin-5(3H)-one
CID 640421
2-(2,2-Difluoropropoxy)-3,5-dimethylpyrimidin-4-one
CID 159104968
2-(2,2,3,4,4,4-Hexafluorobutoxy)-3,5-dimethylpyrimidin-4-one
CID 166648584
3,5-Dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-one
CID 168100668
2-Ethoxy-3-ethylpyrimidin-4-one
CID 141615398
3-(2-Methoxy-5-methyl-6-oxopyrimidin-1-yl)propanal
CID 10559781
3-(3-Hydroxypropyl)-2-methoxy-5-methylpyrimidin-4-one
CID 10726614
2-Methoxy-3,5-dimethylpyrimidin-4-one
CID 21627125
3-Ethyl-2-methoxy-5-methylpyrimidin-4-one
CID 21627126
5-methyl-2-propoxy-1H-pyrimidin-6-one
CID 13845051
5-Methyl-3-(propoxymethyl)pyrimidin-4-one
CID 20772207
2-Ethoxy-1,5-dimethylpyrimidin-4-one
CID 23516181

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one?
The IUPAC name of 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one (CID 102469190) is 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one.
What is the SMILES notation for 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one?
The canonical SMILES for 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one is CCOc1ncc(C)c(=O)n1CC.
What is the InChIKey of 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one?
The InChIKey is PQGRGCKCKKCZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-11-8(12)7(3)6-10-9(11)13-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one?
2-ethoxy-3-ethyl-5-methylpyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-5-methylpyrimidin-4-one is sourced from PubChem (CID 102469190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).