5-DEAZAMETHOTREXATE

2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

Also Known As: 5-DEAZAMETHOTREXATE|Pyrido[2, L-glutamic acid deriv.|Pyrido[2,3-d]pyrimidine, L-glutamic acid deriv.|2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid|L-Glutamic acid,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl]methylamino]benzoyl]-|N-(4-{[(2,4-Diaminopyrido[2,3-d]pyrimidin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid|2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid|L-Glutamic acid, N-[4-[[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl]methylamino]benzoyl]-

Molecular Formula	C21H23N7O5
Molecular Weight	453.17606 g/mol
LogP	0.5
Topological Polar Surface Area	198.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	9
Exact Mass	453.17606
Monoisotopic Mass	453.17606
Heavy Atoms	33
Complexity	702.0

Chemical Identifiers

CAS Number	80360-10-7
SMILES	CN(CC1=CC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
InChIKey	DSXZZNYIRMPBTN-UHFFFAOYSA-N