3-amino-1,5-dimethylpyridine-2,4-dione

C7H10N2O2 — CID 122473587

IUPAC3-amino-1,5-dimethylpyridine-2,4-dione
SMILESCC1=CN(C)C(=O)C(N)C1=O
InChIInChI=1S/C7H10N2O2/c1-4-3-9(2)7(11)5(8)6(4)10/h3,5H,8H2,1-2H3
InChIKeyZORXRYNQVKGAKX-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.74
Rot. Bonds

About 3-amino-1,5-dimethylpyridine-2,4-dione

3-amino-1,5-dimethylpyridine-2,4-dione (PubChem CID 122473587) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-amino-1,5-dimethylpyridine-2,4-dione.

Molecular Properties

Compound Name3-amino-1,5-dimethylpyridine-2,4-dione
PubChem CID122473587
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-amino-1,5-dimethylpyridine-2,4-dione
SMILESCC1=CN(C)C(=O)C(N)C1=O
InChIInChI=1S/C7H10N2O2/c1-4-3-9(2)7(11)5(8)6(4)10/h3,5H,8H2,1-2H3
InChIKeyZORXRYNQVKGAKX-UHFFFAOYSA-N
XLogP-0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethylpyridine-2,4-dione?
The IUPAC name of 3-amino-1,5-dimethylpyridine-2,4-dione (CID 122473587) is 3-amino-1,5-dimethylpyridine-2,4-dione.
What is the SMILES notation for 3-amino-1,5-dimethylpyridine-2,4-dione?
The canonical SMILES for 3-amino-1,5-dimethylpyridine-2,4-dione is CC1=CN(C)C(=O)C(N)C1=O.
What is the InChIKey of 3-amino-1,5-dimethylpyridine-2,4-dione?
The InChIKey is ZORXRYNQVKGAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-3-9(2)7(11)5(8)6(4)10/h3,5H,8H2,1-2H3.
What are the key properties of 3-amino-1,5-dimethylpyridine-2,4-dione?
3-amino-1,5-dimethylpyridine-2,4-dione has a molecular weight of 154.17 g/mol, XLogP of -0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethylpyridine-2,4-dione is sourced from PubChem (CID 122473587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).