Caffeinol
1-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione
Molecular Identity
Caffeinol
1-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione
PubChem CID: 53630515
Caffeinol is an oxopurine.
2D Structure
Properties
C8H10N4O3
Molecular Formula
210.19
Molecular Weight
g/mol
210.0753
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
78.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
308
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)COIsomeric SMILES
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)COSynonyms(5)
caffeinolRefChem:917847SCHEMBL29379846CHEBI:2312131-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Caffeinol
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