1-ethylpyrimidine-2,4-dione

C6H8N2O2 — CID 4183135

IUPAC1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-2-8-4-3-5(9)7-6(8)10/h3-4H,2H2,1H3,(H,7,9,10)
InChIKeyKPLDRYODCDLNHB-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.44
Rot. Bonds1

About 1-ethylpyrimidine-2,4-dione

1-ethylpyrimidine-2,4-dione (PubChem CID 4183135) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethylpyrimidine-2,4-dione
PubChem CID4183135
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-2-8-4-3-5(9)7-6(8)10/h3-4H,2H2,1H3,(H,7,9,10)
InChIKeyKPLDRYODCDLNHB-UHFFFAOYSA-N
XLogP-0.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-ethylpyrimidine-2,4-dione (CID 4183135) is 1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-ethylpyrimidine-2,4-dione is CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-ethylpyrimidine-2,4-dione?
The InChIKey is KPLDRYODCDLNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-8-4-3-5(9)7-6(8)10/h3-4H,2H2,1H3,(H,7,9,10).
What are the key properties of 1-ethylpyrimidine-2,4-dione?
1-ethylpyrimidine-2,4-dione has a molecular weight of 140.14 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 4183135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).