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

C6H8N2O2 — CID 23031994

IUPAC2-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C6H8N2O2/c1-2-4-7-5(9)3-6(10)8-4/h2-3H2,1H3,(H,7,8,9,10)
InChIKeyOPHDLZVKBSREQV-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.16
Rot. Bonds1

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

2-ethyl-1H-pyrimidine-4,6-dione (PubChem CID 23031994) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-ethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-ethyl-1H-pyrimidine-4,6-dione
PubChem CID23031994
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C6H8N2O2/c1-2-4-7-5(9)3-6(10)8-4/h2-3H2,1H3,(H,7,8,9,10)
InChIKeyOPHDLZVKBSREQV-UHFFFAOYSA-N
XLogP-0.16
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.16
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
2-(Difluoromethyl)pyrimidine-4,6(1H,5H)-dione
CID 59343580
5-fluoro-2-methyl-1H-pyrimidine-4,6-dione
CID 77520036
2-(2-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80550490
2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550516
5-fluoro-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 80550862
2-(1-aminopropan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80551007
2-(5-fluoro-4,6-dioxo-1H-pyrimidin-2-yl)acetamide
CID 84074890
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-ethyl-1H-pyrimidine-4,6-dione (CID 23031994) is 2-ethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-ethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-ethyl-1H-pyrimidine-4,6-dione is CCC1=NC(=O)CC(=O)N1.
What is the InChIKey of 2-ethyl-1H-pyrimidine-4,6-dione?
The InChIKey is OPHDLZVKBSREQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-4-7-5(9)3-6(10)8-4/h2-3H2,1H3,(H,7,8,9,10).
What are the key properties of 2-ethyl-1H-pyrimidine-4,6-dione?
2-ethyl-1H-pyrimidine-4,6-dione has a molecular weight of 140.14 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 23031994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).