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3-methyl-1-propyl-7H-purine-2,6-dione

3-methyl-1-propyl-7H-purine-2,6-dione structure

CAS No:
72117-78-3
Formula:
C9H12N4O2
Chemical Name:
3-methyl-1-propyl-7H-purine-2,6-dione
Synonyms:
1-methyl-3-propylxanthine;1-MPX;3-methyl-1-propylxanthine;UNII-8YM307PRAS;8YM307PRAS;CHEMBL112369;72117-78-3;1-MPX;Athyltheophyllin;3-methyl-1-propyl-7H-purine-2,6-dione;1-Propyl-3-methylxanthine;SCHEMBL7460178;DTXSID20992837;BDBM50001489;3-Methyl-1-propyl-3,7-dihydro-purine-2,6-dione;3-Methyl-1-propyl-3,9-dihydro-1H-purine-2,6-dione;Q27271213;1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-propyl-

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3-methyl-1-propyl-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

208.22 g/mol

Exact Mass：

208.09602564 g/mol

UNII：

8YM307PRAS

Characteristics

PSA：

69.3 Å²

XLogP3：

-0.1667

Melting Point：

205 - 207 °C (ethyl acetate)

Drug Information

MeSH Entry Terms：

1-methyl-3-propylxanthine

Computed Properties

Molecular Weight:208.22
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:208.09602564
Monoisotopic Mass:208.09602564
Topological Polar Surface Area:69.3
Heavy Atom Count:15
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

135461-99-3

72117-78-3

Suppliers(4)

Hot Searches: methyl acetate; boric acid; 1 bromopropane; ethanol safety data sheet; dystrophic nails; dichloromethane msds

Guide of 3-methyl-1-propyl-7H-purine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties
Synthesis Route

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