941236-36-8
4-METHYL-2-[(3-METHYLPHENYL)AMINO]PYRIMIDINE-5-CARBOXYLIC ACID
Name4-METHYL-2-[(3-METHYLPHENYL)AMINO]PYRIMIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
4-METHYL-2-[(3-METHYLPHENYL)AMINO]PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09754801
【EnglishSynonyms】
【pro_formula】
C13 H13 N3 O2
【pro_molWeight】
243.265
【Inchi】
InChI=1S/C13H13N3O2/c1-8-4-3-5-10(6-8)16-13-14-7-11(12(17)18)9(2)15-13/h3-7H,1-2H3,(H,17,18)(H,14,15,16)
【InChIKey】
InChIKey=MNELOJHAFJOQMO-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)Nc2ncc(c(n2)C)C(=O)O
【MOL File】
4-METHYL-2-[(3-METHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYL-2-[(3-METHYLPHENYL)AMINO]PYRIMIDINE-5-CARBOXYLIC ACID.cml