9-(3,5-dimethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Basic information
- CAS
714245-09-7- Standard SMILES
Cc1cc(C)cc(N2CC(C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1- InChIKey
IPELEGBBNWXWNG-UHFFFAOYSA-N- Molecular formula
- C18H21N5O2
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.16952493
Names & identifiers
- Preferred name
- 9-(3,5-dimethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
- IUPAC
- 9-(3,5-dimethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Names & synonyms
714245-09-79-(3,5-dimethylphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione9-(3,5-dimethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione9-(3,5-dimethylphenyl)-1,7-dimethyl-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroi no[1,2-h]purine-2,4-dioneMLS001215081CHEMBL1596299DTXSID301321741HMS2881N13HMS3456B12SBB084768STL056872AKOS001369168
Show more names
AKOS005709639AKOS016042203UPCMLD0ENAT5795442:001SMR000543131ST51078888F3235-0795Z2355585309-(3,5-dimethylphenyl)-4-hydroxy-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Database identifiers
- CAS
714245-09-7- PubChem CID
- 4283095
- DTXSID
DTXSID301321741- ChEMBL
CHEMBL1596299
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 560
Experimental & physicochemical properties
Solubility13 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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