4-hydroxy-8-(3-methoxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Basic information
- CAS
879459-52-6- Standard SMILES
COCCCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12- InChIKey
FVVKLDBSBYGCGY-UHFFFAOYSA-N- Molecular formula
- C13H17N5O3
- Average molar mass
- 291.31 g/mol
Names & identifiers
- Preferred name
- 4-hydroxy-8-(3-methoxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
- IUPAC
- 6-(3-methoxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
- English name
- 1-(3-Methoxy-propyl)-2,7-dimethyl-1H,7H-1,3a,5,7,8-pentaaza-cyclopenta[a]indene-4,6-dione
- Molecular formula
- C13H17N5O3
- Molecular weight
- 291.31
Names & synonyms
4-hydroxy-8-(3-methoxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one879459-52-68-(3-methoxypropyl)-1,7-dimethyl-1,3,5-trihydro-4-imidazolino[1,2-h]purine-2,4 -dione6-(3-methoxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dioneSBB084644STK597920AKOS001369776AKOS005519305UPCMLD0ENAT5817476:001ST51075806Z2376502708-(3-methoxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Show more names
1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(3-methoxypropyl)-1,7-dimethyl- (9CI)1-(3-Methoxy-propyl)-2,7-dimethyl-1H,7H-1,3a,5,7,8-pentaaza-cyclopenta[a]indene-4,6-dione
Database identifiers
- CAS
879459-52-6
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 9.52 · 9.52±0.20(Predicted)
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Compound notes
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