2,3-diethyl-6-hydroxypyrimidin-4-one

C8H12N2O2 — CID 135617178

IUPAC2,3-diethyl-6-hydroxypyrimidin-4-one
SMILESCCc1nc(O)cc(=O)n1CC
InChIInChI=1S/C8H12N2O2/c1-3-6-9-7(11)5-8(12)10(6)4-2/h5,11H,3-4H2,1-2H3
InChIKeySBMLWWSJDCBQJR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.53
Rot. Bonds2

About 2,3-diethyl-6-hydroxypyrimidin-4-one

2,3-diethyl-6-hydroxypyrimidin-4-one (PubChem CID 135617178) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,3-diethyl-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name2,3-diethyl-6-hydroxypyrimidin-4-one
PubChem CID135617178
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2,3-diethyl-6-hydroxypyrimidin-4-one
SMILESCCc1nc(O)cc(=O)n1CC
InChIInChI=1S/C8H12N2O2/c1-3-6-9-7(11)5-8(12)10(6)4-2/h5,11H,3-4H2,1-2H3
InChIKeySBMLWWSJDCBQJR-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-6-hydroxypyrimidin-4-one?
The IUPAC name of 2,3-diethyl-6-hydroxypyrimidin-4-one (CID 135617178) is 2,3-diethyl-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 2,3-diethyl-6-hydroxypyrimidin-4-one?
The canonical SMILES for 2,3-diethyl-6-hydroxypyrimidin-4-one is CCc1nc(O)cc(=O)n1CC.
What is the InChIKey of 2,3-diethyl-6-hydroxypyrimidin-4-one?
The InChIKey is SBMLWWSJDCBQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-9-7(11)5-8(12)10(6)4-2/h5,11H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-6-hydroxypyrimidin-4-one?
2,3-diethyl-6-hydroxypyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 135617178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).