Basic information
- CAS
20545-68-0- Standard SMILES
Cc1cnc(=O)[nH]c1-c1[nH]c(=O)[nH]c(=O)c1C- InChIKey
IGTSGPZXQJVUAM-UHFFFAOYSA-N- Molecular formula
- C10H10N4O3
- Average molar mass
- 234.21 g/mol
- Monoisotopic mass
- 234.07529019
Names & identifiers
- Preferred name
- [4,4'-Bipyrimidine]-2,2',6(1H,1'H,3H)-trione, 5,5'-dimethyl-
- IUPAC
- 5-methyl-6-(5-methyl-2-oxo-1H-pyrimidin-6-yl)-1H-pyrimidine-2,4-dione
- English name
- 5,5'-Dimethyl-4,4'-bipyrimidine-2,2',6(1H,1'H,3H)-trione
- Molecular formula
- C10H10N4O3
- Molecular weight
- 234.21
Names & synonyms
20545-68-0[4,4'-Bipyrimidine]-2,2',6(1H,1'H,3H)-trione, 5,5'-dimethyl-5,5'-Dimethyl-[4,4'-bipyrimidine]-2,2',6(1H,3H,3'H)-trione[4,4'-Bipyrimidine]-2,2',6(1H,3H,3'H)-trione, 5,5'-dimethyl-DTXSID80346913IGTSGPZXQJVUAM-UHFFFAOYSA-NDB-3251945,5'-Dimethyl-4,4'-bipyrimidine-2,2',6(1H,1'H,3H)-trione5,5'-Dimethyl[4,4'-bipyrimidine]-2,2',6(1H,3H,3'H)-trione5,5'-DIMETHYL -4,4'-BIPYRIMIDINE-2,2',6(1H,1'H,3H)-TRIONE
Database identifiers
- CAS
20545-68-0- PubChem CID
- 616359
- DTXSID
DTXSID80346913- Nikkaji
- J122.057H
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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