Basic information
- CAS
18694-06-9- Standard SMILES
Cc1c(-c2ccnc(=O)[nH]2)[nH]c(=O)[nH]c1=O- InChIKey
WCGFYFUFXJNAQM-UHFFFAOYSA-N- Molecular formula
- C9H8N4O3
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.05964013
Names & identifiers
- Preferred name
- [6-(4-Pyrimidin-2-onyl)thymine]
- IUPAC
- 5-methyl-6-(2-oxo-1H-pyrimidin-6-yl)-1H-pyrimidine-2,4-dione
- English name
- 5-Methyl-4,4'-bipyrimidine-2,2',6(1H,1'H,3H)-trione
- Molecular weight
- 0
Names & synonyms
[6-(4-Pyrimidin-2-onyl)thymine]18694-06-96-(2-Hydroxy-5-methylpyrimidin-4-yl)uracilDTXSID70346548[4,4'-Bipyrimidine]-2,2',6(1H,1'H,3H)-trione, 5-methyl-(6-(4-Pyrimidin-2-onyl)thymine)(4,4'-Bipyrimidine)-2,2',6(1H,1'H,3H)-trione, 5-methyl-RefChem:209697DTXCID50297620WCGFYFUFXJNAQM-UHFFFAOYSA-N5-methyl-6-(2-oxo-1H-pyrimidin-6-yl)-1H-pyrimidine-2,4-dione5-Methyl-4,4/'-bipyrimidine-2,2/',6(1H,1/'H,3H)-trione
Show more names
P2B6-(1,2-Dihydro-2-oxopyrimidin-4-yl)thymine5-Methyl-4,4'-bipyrimidine-2,2',6(1H,1'H,3H)-trione
5-Methyl[4,4'-bipyrimidine]-2,2',6(1H,3H,3'H)-trione
Database identifiers
- CAS
18694-06-9- PubChem CID
- 613150
- DTXSID
DTXSID70346548- Nikkaji
- J122.056J
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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