2-ethoxy-1,5-dimethylpyrimidin-4-one

C8H12N2O2 — CID 23516181

IUPAC2-ethoxy-1,5-dimethylpyrimidin-4-one
SMILESCCOc1nc(=O)c(C)cn1C
InChIInChI=1S/C8H12N2O2/c1-4-12-8-9-7(11)6(2)5-10(8)3/h5H,4H2,1-3H3
InChIKeyOCSUYBIUSPZTSM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.49
Rot. Bonds2

About 2-ethoxy-1,5-dimethylpyrimidin-4-one

2-ethoxy-1,5-dimethylpyrimidin-4-one (PubChem CID 23516181) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-ethoxy-1,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-ethoxy-1,5-dimethylpyrimidin-4-one
PubChem CID23516181
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-ethoxy-1,5-dimethylpyrimidin-4-one
SMILESCCOc1nc(=O)c(C)cn1C
InChIInChI=1S/C8H12N2O2/c1-4-12-8-9-7(11)6(2)5-10(8)3/h5H,4H2,1-3H3
InChIKeyOCSUYBIUSPZTSM-UHFFFAOYSA-N
XLogP0.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,5-dimethylpyrimidin-4-one?
The IUPAC name of 2-ethoxy-1,5-dimethylpyrimidin-4-one (CID 23516181) is 2-ethoxy-1,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-ethoxy-1,5-dimethylpyrimidin-4-one?
The canonical SMILES for 2-ethoxy-1,5-dimethylpyrimidin-4-one is CCOc1nc(=O)c(C)cn1C.
What is the InChIKey of 2-ethoxy-1,5-dimethylpyrimidin-4-one?
The InChIKey is OCSUYBIUSPZTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-12-8-9-7(11)6(2)5-10(8)3/h5H,4H2,1-3H3.
What are the key properties of 2-ethoxy-1,5-dimethylpyrimidin-4-one?
2-ethoxy-1,5-dimethylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 23516181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).