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

C6H8N2O — CID 135407688

IUPAC4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]cn1
InChIInChI=1S/C6H8N2O/c1-2-5-3-6(9)8-4-7-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeySWJOGZCZSPXIJG-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.33
Rot. Bonds1

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

4-ethyl-1H-pyrimidin-6-one (PubChem CID 135407688) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-1H-pyrimidin-6-one
PubChem CID135407688
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]cn1
InChIInChI=1S/C6H8N2O/c1-2-5-3-6(9)8-4-7-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeySWJOGZCZSPXIJG-UHFFFAOYSA-N
XLogP0.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-1H-pyrimidin-6-one (CID 135407688) is 4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]cn1.
What is the InChIKey of 4-ethyl-1H-pyrimidin-6-one?
The InChIKey is SWJOGZCZSPXIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-5-3-6(9)8-4-7-5/h3-4H,2H2,1H3,(H,7,8,9).
What are the key properties of 4-ethyl-1H-pyrimidin-6-one?
4-ethyl-1H-pyrimidin-6-one has a molecular weight of 124.14 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135407688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).