2,4(1H,3H)-Pyrimidinedione, 6-[methyl(phenylmethyl)amino]-
Basic information
- CAS
21333-17-5- Standard SMILES
CN(Cc1ccccc1)c1cc(=O)[nH]c(=O)[nH]1- InChIKey
XCKQVJAZUJJRMS-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 6-[methyl(phenylmethyl)amino]-
- IUPAC
- 6-[benzyl(methyl)amino]-1H-pyrimidine-2,4-dione
Names & synonyms
21333-17-52,4(1H,3H)-Pyrimidinedione, 6-[methyl(phenylmethyl)amino]-6-(benzyl(methyl)amino)pyrimidine-2,4(1H,3H)-dioneNSC2122316-[benzyl(methyl)amino]-1H-pyrimidine-2,4-dione6-[Benzyl(methyl)amino]pyrimidine-2,4(1H,3H)-dionestarbld0033790SCHEMBL1520252DTXSID00309525AKOS026714227NSC-212231F1967-3315
Database identifiers
- CAS
21333-17-5- PubChem CID
- 309797
- DTXSID
DTXSID00309525
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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