Iclaprim
5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
Molecular Identity
Iclaprim
5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID: 213043
5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine is an aminopyrimidine that is 5-methylpyrimidine-2,4-diamine in which one of the hydrogens of the methyl group has been replaced by a 2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl group. It is a member of chromenes, an aminopyrimidine and a member of cyclopropanes.
2D Structure
Properties
C19H22N4O3
Molecular Formula
354.40
Molecular Weight
g/mol
354.1692
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
515
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Iclaprim192314-93-5AR-1005-[(2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl)methyl]pyrimidine-2,4-diamineRO-48-2622Iclaprime5-((2-Cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl)pyrimidine-2,4-diamine42445HUU0OAR 100Ro-4826222,4-Pyrimidinediamine, 5-[(2-cyclopropyl-7,8-dimethoxy-2H-1-benzopyran-5-yl)methyl]-AR-100.001RO 48-2622CHEBI:1317512,4-Pyrimidinediamine, 5-((2-cyclopropyl-7,8-dimethoxy-2H-1-benzopyran-5-yl)methyl)-
Data from PubChem (NCBI)
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