5-ethyl-2-methyl-1H-pyrimidine-4,6-dione

C7H10N2O2 — CID 75088261

IUPAC5-ethyl-2-methyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C)NC1=O
InChIInChI=1S/C7H10N2O2/c1-3-5-6(10)8-4(2)9-7(5)11/h5H,3H2,1-2H3,(H,8,9,10,11)
InChIKeyZICRYNSGLBHRMM-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.09
Rot. Bonds1

About 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione

5-ethyl-2-methyl-1H-pyrimidine-4,6-dione (PubChem CID 75088261) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-ethyl-2-methyl-1H-pyrimidine-4,6-dione
PubChem CID75088261
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-ethyl-2-methyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C)NC1=O
InChIInChI=1S/C7H10N2O2/c1-3-5-6(10)8-4(2)9-7(5)11/h5H,3H2,1-2H3,(H,8,9,10,11)
InChIKeyZICRYNSGLBHRMM-UHFFFAOYSA-N
XLogP0.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4,6-pyrimidinedione
CID 580924
5,5-Diethyl-2-methylpyrimidine-4,6-dione
CID 3763528
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 22084610
2-ethyl-1H-pyrimidine-4,6-dione
CID 23031994
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)pentane-2,4-dione
CID 58934368
2-methyl-5-propan-2-yl-1H-pyrimidine-4,6-dione
CID 131291765
2-propyl-1H-pyrimidine-4,6-dione
CID 134558394
N-(N-cyano-C-ethylcarbonimidoyl)-2-methyl-3-oxobutanamide
CID 142838636
ethane;2-methyl-1H-pyrimidine-4,6-dione
CID 144474077
2-butan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 164053355

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione (CID 75088261) is 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione is CCC1C(=O)N=C(C)NC1=O.
What is the InChIKey of 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione?
The InChIKey is ZICRYNSGLBHRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-5-6(10)8-4(2)9-7(5)11/h5H,3H2,1-2H3,(H,8,9,10,11).
What are the key properties of 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione?
5-ethyl-2-methyl-1H-pyrimidine-4,6-dione has a molecular weight of 154.17 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 75088261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).