5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione

HCID 408478

Notes Reactions

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Basic information

Standard SMILES: CN(C)Cc1c[nH]c(=O)[nH]c1=O
InChIKey: QMMQQQNUWGYSAJ-UHFFFAOYSA-N
Molecular formula: C7H11N3O2
Average molar mass: 169.18 g/mol
Monoisotopic mass: 169.0851266

Names & identifiers

Preferred name: 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
IUPAC: 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione

Names & synonyms

CHEMBL3272566SCHEMBL10617591AKOS006274234

Database identifiers

PubChem CID: 408478
ChEMBL: CHEMBL3272566

Properties

Computed structural properties

XLogP: -1.8
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 245

Related reactions

4 records

New reaction record

HRID 667403 reaction equation

HRID 667403As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1540703 reaction equation

HRID 1540703As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1557649 reaction equation

HRID 1557649As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1573202 reaction equation

HRID 1573202As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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