Stk169393
Basic information
- CAS
5770-49-0- Standard SMILES
Cn1c(NCc2ccccc2)cc(=O)n(C)c1=O- InChIKey
IASNJHQWQYIVJS-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.11642673
Names & identifiers
- Preferred name
- Stk169393
- IUPAC
- 6-(benzylamino)-1,3-dimethylpyrimidine-2,4-dione
- English name
- 6-(benzylamino)-1,3-dimethyl-pyrimidine-2,4-quinone
- Molecular formula
- C13H15N3O2
- Molecular weight
- 245.28
Names & synonyms
5770-49-0STK169393DTXSID30312986RefChem:382127DTXCID502641106-(benzylamino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6-(benzylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione6-(benzylamino)-1,3-dimethyl-pyrimidine-2,4-quinoneSMR0000701466-(benzylamino)-1,3-dimethylpyrimidine-2,4-dioneNSC265414CBMicro_029298
Show more names
1,3-dimethyl-6-(phenylmethylamino)pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-[(phenylmethyl)amino]-
ChemDiv2_000670Cambridge id 5731897Oprea1_700405Oprea1_719286MLS000061277MLS004491695CHEMBL1601220HMS1370O10
Database identifiers
- CAS
5770-49-0- PubChem CID
- 319814
- DTXSID
DTXSID30312986- ChEMBL
CHEMBL1601220- Nikkaji
- J2.335.624D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
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Related reactions
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Compound notes
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