1-benzyl-6-(furan-2-ylmethyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Basic information
- CAS
781654-87-3- Standard SMILES
O=c1[nH]c(=O)n(Cc2ccccc2)c2c1CN(Cc1ccco1)CN2- InChIKey
QEYGCJWPQLGQIP-UHFFFAOYSA-N- Molecular formula
- C18H18N4O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13789045
Names & identifiers
- Preferred name
- 1-benzyl-6-(furan-2-ylmethyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
- IUPAC
- 1-benzyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
Names & synonyms
781654-87-31-benzyl-6-(furan-2-ylmethyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one1-benzyl-6-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dioneDTXSID201115472STK595307STL224151AKOS002256936AKOS0055168091-benzyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dioneNCGC00296211-01AB01291668-01F3099-6828
Show more names
1-Benzyl-6-[(furan-2-yl)methyl]-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione6-(2-Furanylmethyl)-5,6,7,8-tetrahydro-1-(phenylmethyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
781654-87-3- PubChem CID
- 735548
- DTXSID
DTXSID201115472
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
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Compound notes
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