3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
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Basic information
- CAS
118024-67-2- Standard SMILES
CCCn1c(=O)n(C)c(=O)c2[nH]cnc21- InChIKey
MCPROACZLSAAPY-UHFFFAOYSA-N- Molecular formula
- C9H12N4O2
- Average molar mass
- 208.22 g/mol
- Monoisotopic mass
- 208.09602564
Overview
1-methyl-3-propyl-7H-xanthine is an oxopurine that is 1-methyl-7H-xanthine in which the hydrogen attached to the nitrogen at position 3 has been replaced by a propyl group. It has a role as a bronchodilator agent. It is functionally related to an enprofylline and a 1-methyl-7H-xanthine.
Names & identifiers
- Preferred name
- 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
- IUPAC
- 1-methyl-3-propyl-7H-purine-2,6-dione
- English name
- 3,7-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
- Molecular formula
- C9H12N4O2
- Molecular weight
- 208.22
Names & synonyms
1-methyl-3-propyl-7H-purine-2,6-dione118024-67-21-methyl-3-n-propylxanthineDWZ57272FA3,9-DIHYDRO-1-METHYL-3-PROPYL-1H-PURINE-2,6-DIONERefChem:10662393,7-dihydro-1-methyl-3-propyl-1H-purine-2,6-dioneCHEMBL286976Xanthine, 1-methyl-3-propyl-1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-propyl-UNII-DWZ57272FA1-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione
Show more names
XT-101-Methyl-3-propyl-7H-purine-2,6(1H,3H)-dione1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-3-propyl-
SCHEMBL97656691-methyl-3-propyl-7H-xanthine1H-Purine-2,6-dione,3,9-dihydro-3-methyl-1-propyl-DTXSID10879542CHEBI:145517BDBM50001509PD1796051-methyl-3-propyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
118024-67-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Experimental & physicochemical properties
LogP1.02
Physicochemical properties
- FDA UNII
- 57272 FA · DWZ57272FA
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 1-methyl-3-propyl-7H-xanthine is an oxopurine that is 1-methyl-7H-xanthine in which the hydrogen attached to the nitrogen at position 3 has been replaced by a propyl group. It has a role as a bronchodilator agent. It is functionally related to a 1-methyl-7H-xanthine and an enprofylline.
Related reactions
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Compound notes
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