Basic information
- CAS
102284-70-8- Standard SMILES
C#CCn1cnc2c1c(=O)n(CCC)c(=O)n2CCC- InChIKey
ZJNGTKZTSFZGPQ-UHFFFAOYSA-N- Molecular formula
- C14H18N4O2
- Average molar mass
- 274.32 g/mol
- Monoisotopic mass
- 274.14297583
Names & identifiers
- Preferred name
- 7-(Prop-2-yn-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione
- English name
- 3,7-Dihydro-1,3-dipropyl-7-(2-propynyl)-1H-purine-2,6-dione
- Molecular formula
- C14H18N4O2
- Molecular weight
- 274.32
Names & synonyms
102284-70-87-(Prop-2-yn-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione0PX75FMH1H1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione1,3-Dipropyl 7-propargylxanthine1,3-N-Dipropyl-7-propargylxanthineUNII-0PX75FMH1HCHEMBL252231H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-(2-propynyl)-3,7-Dihydro-1,3-dipropyl-7-(2-propyn-1-yl)-1H-purine-2,6-dione7-(prop-2-yn-1-yl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione7-(prop-2-yn-1-yl)-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Show more names
1,3-N-Dipropyl-7-Propargylxantine1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-(2-propyn-1-yl)-1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-(2-propynyl)-(9CI)
3,7-Dihydro-1,3-dipropyl-7-(2-propynyl)-1H-purine-2,6-dioneSCHEMBL315866DTXSID70469842BDBM50025578AKOS016007982DB-3419171,3-Dipropyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-dione1,3-Dipropyl-7-(prop-2-yn-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Density
- 1.19 · 1.19
- FDA UNII
- 0 PX75FMH1H · 0PX75FMH1H
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
郑州汇聚化工有限公司13393710386 · [email protected]
杭州东帆化学有限公司86-0571-85151182
career henan chemical co+86-0371-86658258 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…