Basic information
- CAS
1326942-26-0- Standard SMILES
O=c1[nH]c2nc(N3CCN(c4ccccn4)CC3)ncc2c(=O)n1-c1cccc(F)c1- InChIKey
MGRSPANLUFXNFM-UHFFFAOYSA-N- Molecular formula
- C21H18FN7O2
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.150601
Names & identifiers
- Preferred name
- 3-(3-fluorophenyl)-7-[4-(pyridin-2-yl)piperazin-1-yl]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
Names & synonyms
DTXSID801116066STL127898AKOS0057310741326942-26-0Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 3-(3-fluorophenyl)-7-[4-(2-pyridinyl)-1-piperazinyl]-3-(3-fluorophenyl)-7-[4-(pyridin-2-yl)piperazin-1-yl]pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione3-(3-Fluorophenyl)-7-[4-(pyridin-2-yl)piperazin-1-yl]pyrimido[4,5-d]pyrimidine-2,4(3H,8H)-dione
Database identifiers
- CAS
1326942-26-0- PubChem CID
- 53333488
- DTXSID
DTXSID801116066
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 674
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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