5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine
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![5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c1687a3fb6ce447eb889f87a9905a23a.png "5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine")
5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine
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CAS No:
118344-71-1
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Formula:
C20H22N6O2
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Chemical Name:
5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine
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Synonyms:
methylbenzoprim;Methylbenzoprim;118344-71-1;CHEMBL56170;MLS002701717;NSC382035;NSC-382035;5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine;2,4-Pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl)amino]-3-nitrophenyl]-;2,4-Pyrimidinediamine, 6-ethyl-5-(4-(methyl(phenylmethyl)amino)-3-nitrophenyl)-;ACMC-20ashh;NSC 382035;Neuro_000220;cid_72438;SCHEMBL8590014;DTXSID70152101;ZINC3777839;BDBM50058420;ZINC03777839;2,4-Pyrimidinediamine,6-ethyl-5-[4-[methyl(phenylmethyl)amino]-3-nitrophenyl]-;NCI60_003643;SMR001565314;2, 6-ethyl-5-[4-[methyl(phenylmethyl) amino]-3-nitrophenyl]-;5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine;5-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine;(methylbenzoprim, MBP) 5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine
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CAS No:
5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Basic Attributes
378.4 g/mol
378.18042397 g/mol
382035
DTXSID70152101
Drug Information
Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033) (See all compounds classified as Folic Acid Antagonists.)
methylbenzoprim
Computed Properties
Molecular Weight:378.4
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:378.18042397
Monoisotopic Mass:378.18042397
Topological Polar Surface Area:127
Heavy Atom Count:28
Complexity:509
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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