4-ethoxy-2-ethyl-1H-pyrimidin-6-one

C8H12N2O2 — CID 12940703

IUPAC4-ethoxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C8H12N2O2/c1-3-6-9-7(11)5-8(10-6)12-4-2/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyIFDZSPSSHXIVTB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.73
Rot. Bonds3

About 4-ethoxy-2-ethyl-1H-pyrimidin-6-one

4-ethoxy-2-ethyl-1H-pyrimidin-6-one (PubChem CID 12940703) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-ethoxy-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethoxy-2-ethyl-1H-pyrimidin-6-one
PubChem CID12940703
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-ethoxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C8H12N2O2/c1-3-6-9-7(11)5-8(10-6)12-4-2/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyIFDZSPSSHXIVTB-UHFFFAOYSA-N
XLogP0.73
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-ethoxy-2-ethyl-1H-pyrimidin-6-one (CID 12940703) is 4-ethoxy-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethoxy-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethoxy-2-ethyl-1H-pyrimidin-6-one is CCOc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-ethoxy-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is IFDZSPSSHXIVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-9-7(11)5-8(10-6)12-4-2/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 4-ethoxy-2-ethyl-1H-pyrimidin-6-one?
4-ethoxy-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 12940703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).