1-ethyl-5-methylpyrimidine-4,6-dione

C7H10N2O2 — CID 89243801

IUPAC1-ethyl-5-methylpyrimidine-4,6-dione
SMILESCCN1C=NC(=O)C(C)C1=O
InChIInChI=1S/C7H10N2O2/c1-3-9-4-8-6(10)5(2)7(9)11/h4-5H,3H2,1-2H3
InChIKeyHIYDUSNHCYDCSD-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.04
Rot. Bonds1

About 1-ethyl-5-methylpyrimidine-4,6-dione

1-ethyl-5-methylpyrimidine-4,6-dione (PubChem CID 89243801) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-ethyl-5-methylpyrimidine-4,6-dione.

Molecular Properties

Compound Name1-ethyl-5-methylpyrimidine-4,6-dione
PubChem CID89243801
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-ethyl-5-methylpyrimidine-4,6-dione
SMILESCCN1C=NC(=O)C(C)C1=O
InChIInChI=1S/C7H10N2O2/c1-3-9-4-8-6(10)5(2)7(9)11/h4-5H,3H2,1-2H3
InChIKeyHIYDUSNHCYDCSD-UHFFFAOYSA-N
XLogP0.04
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylpyrimidine-4,6-dione?
The IUPAC name of 1-ethyl-5-methylpyrimidine-4,6-dione (CID 89243801) is 1-ethyl-5-methylpyrimidine-4,6-dione.
What is the SMILES notation for 1-ethyl-5-methylpyrimidine-4,6-dione?
The canonical SMILES for 1-ethyl-5-methylpyrimidine-4,6-dione is CCN1C=NC(=O)C(C)C1=O.
What is the InChIKey of 1-ethyl-5-methylpyrimidine-4,6-dione?
The InChIKey is HIYDUSNHCYDCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-9-4-8-6(10)5(2)7(9)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-methylpyrimidine-4,6-dione?
1-ethyl-5-methylpyrimidine-4,6-dione has a molecular weight of 154.17 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylpyrimidine-4,6-dione is sourced from PubChem (CID 89243801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).