CHEBI:131751 - 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
ChEBI ID CHEBI:131751
ChEBI ASCII Name 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
Definition An aminopyrimidine that is 5-methylpyrimidine-2,4-diamine in which one of the hydrogens of the methyl group has been replaced by a 2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H22N4O3
Net Charge 0
Average Mass 354.404
Monoisotopic Mass 354.169
InChI InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)
InChIKey HWJPWWYTGBZDEG-UHFFFAOYSA-N
SMILES C=1(C(=CN=C(N1)N)CC=2C=3C=CC(OC3C(=C(C2)OC)OC)C4CC4)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine (CHEBI:131751) is a aminopyrimidine (CHEBI:38338)
5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine (CHEBI:131751) is a chromenes (CHEBI:23232)
5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine (CHEBI:131751) is a cyclopropanes (CHEBI:51454)
Incoming (R)-iclaprim (CHEBI:131752) is a 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine (CHEBI:131751)
(S)-iclaprim (CHEBI:131753) is a 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine (CHEBI:131751)
IUPAC Name
5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
Last Modified
15 April 2016
General Comment
2016-04-15 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers, (R)-iclaprim and (S)-iclaprim, and the racemate (iclaprim).