3,6-diethyl-1H-pyrimidine-2,4-dione

C8H12N2O2 — CID 58295023

IUPAC3,6-diethyl-1H-pyrimidine-2,4-dione
SMILESCCc1cc(=O)n(CC)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-6-5-7(11)10(4-2)8(12)9-6/h5H,3-4H2,1-2H3,(H,9,12)
InChIKeyOIJWPWQYUQDHNJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.12
Rot. Bonds2

About 3,6-diethyl-1H-pyrimidine-2,4-dione

3,6-diethyl-1H-pyrimidine-2,4-dione (PubChem CID 58295023) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3,6-diethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-diethyl-1H-pyrimidine-2,4-dione
PubChem CID58295023
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3,6-diethyl-1H-pyrimidine-2,4-dione
SMILESCCc1cc(=O)n(CC)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-6-5-7(11)10(4-2)8(12)9-6/h5H,3-4H2,1-2H3,(H,9,12)
InChIKeyOIJWPWQYUQDHNJ-UHFFFAOYSA-N
XLogP0.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-6-(4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 122239134
3-ethyl-6-(4-iodophenyl)-1H-pyrimidine-2,4-dione
CID 122239138
3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075417
3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione
CID 122239145
6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
CID 122239111
6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione
CID 7080834
6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 122239170
3-ethyl-5,6-dimethyl-1H-benzimidazol-2-one
CID 45077919
3,5-diethyl-4-hydroxy-1H-imidazol-2-one
CID 54554662
1-ethylquinazoline-2,4-dione
CID 825310
3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione
CID 58295004
6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione
CID 91140674

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,6-diethyl-1H-pyrimidine-2,4-dione (CID 58295023) is 3,6-diethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-diethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,6-diethyl-1H-pyrimidine-2,4-dione is CCc1cc(=O)n(CC)c(=O)[nH]1.
What is the InChIKey of 3,6-diethyl-1H-pyrimidine-2,4-dione?
The InChIKey is OIJWPWQYUQDHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-5-7(11)10(4-2)8(12)9-6/h5H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 3,6-diethyl-1H-pyrimidine-2,4-dione?
3,6-diethyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58295023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).