Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate

methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate

Also Known As: NCGC00020322-01|NCGC00020322-02|methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate|4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoic acid methyl ester|4-[4-amino-6-(3,4-dimethylanilino)-s-triazin-2-yl]-3-keto-butyric acid methyl ester|methyl 4-(4-amino-6-((3,4-dimethylphenyl)amino)-1,3,5-triazin-2-yl)-3-oxobutanoate|methyl 4-[4-azanyl-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl]-3-oxidanylidene-butanoate|methyl 4-{(4Z)-6-amino-4-[(3,4-dimethylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl}-3-oxobutanoate

Molecular Formula	C16H19N5O3
Molecular Weight	329.1488 g/mol
LogP	1.9
Topological Polar Surface Area	120.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	329.1488
Monoisotopic Mass	329.1488
Heavy Atoms	24
Complexity	447.0

Chemical Identifiers

CAS Number	672901-97-2
SMILES	CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CC(=O)CC(=O)OC)C
InChIKey	ODELWMUHUHJXGM-UHFFFAOYSA-N