1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione

C7H11N2O2+ — CID 58937896

IUPAC1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione
SMILESCC[N+]1=CC(C)C(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h4-5H,3H2,1-2H3/p+1
InChIKeyHCRYSYSTWHXKKB-UHFFFAOYSA-O
MW155.18 g/mol
LogP-0.02
Rot. Bonds1

About 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione

1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione (PubChem CID 58937896) has the molecular formula C7H11N2O2+ and a molecular weight of 155.18 g/mol. Its IUPAC name is 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione
PubChem CID58937896
Molecular FormulaC7H11N2O2+
Molecular Weight155.18 g/mol
Exact Mass155.08
IUPAC Name1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione
SMILESCC[N+]1=CC(C)C(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h4-5H,3H2,1-2H3/p+1
InChIKeyHCRYSYSTWHXKKB-UHFFFAOYSA-O
XLogP-0.02
TPSA49.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-5H-pyrimidine-2,4-dione
CID 15218620
(5S)-5-methyl-5H-pyrimidine-2,4-dione
CID 98455950
N-carbamoyl-3-imino-2-methylpropanamide
CID 91173470
5-propan-2-yl-5H-pyrimidin-1-ium-2,4-dione
CID 58462473
5-propan-2-yl-5H-pyrimidine-2,4-dione
CID 58462474
5-methyl-2,5-dihydro-1H-pyrimidin-6-one
CID 91352941
3,5-dimethyl-5H-pyrimidine-2,4-dione
CID 138458704
2,5-dimethyl-2,5-dihydro-1H-pyrimidin-6-one
CID 144981893
ethane;5-methyl-5H-pyrimidine-2,4-dione
CID 145043205
5-Deuterio-5-methylpyrimidine-2,4-dione
CID 176022898
(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione
CID 7367053
1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-carbonitrile
CID 71302021

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione?
The IUPAC name of 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione (CID 58937896) is 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione.
What is the SMILES notation for 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione?
The canonical SMILES for 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione is CC[N+]1=CC(C)C(=O)NC1=O.
What is the InChIKey of 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione?
The InChIKey is HCRYSYSTWHXKKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h4-5H,3H2,1-2H3/p+1.
What are the key properties of 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione?
1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione has a molecular weight of 155.18 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-5H-pyrimidin-1-ium-2,4-dione is sourced from PubChem (CID 58937896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).