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174655-06-2 | Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[(1-naphthalenylamino)methyl]-
CAS No: 174655-06-2 Catalog No: AG001ZUU MDL No:
Product Description
Catalog Number:
AG001ZUU
Chemical Name:
Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[(1-naphthalenylamino)methyl]-
CAS Number:
174655-06-2
Molecular Formula:
C18H16N6
Molecular Weight:
316.3598
IUPAC Name:
6-[(naphthalen-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
InChI:
InChI=1S/C18H16N6/c19-16-14-8-11(10-22-17(14)24-18(20)23-16)9-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-8,10,21H,9H2,(H4,19,20,22,23,24)
InChI Key:
BBVNYSAAUUALLQ-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)ncc(c2)CNc1cccc2c1cccc2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.144g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
316.368g/mol
Monoisotopic Mass:
316.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 2,4-diamino-6-(arylaminomethyl)pyrido[2,3-d]pyrimidines as inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase and as antiopportunistic infection and antitumor agents. | Journal of medicinal chemistry 20031106 |
| Pharmacophore mapping of a series of 2,4-diamino-5-deazapteridine inhibitors of Mycobacterium avium complex dihydrofolate reductase. | Journal of medicinal chemistry 20020103 |
| Lipophilic antifolates as agents against opportunistic infections. 1. Agents superior to trimetrexate and piritrexim against Toxoplasma gondii and Pneumocystis carinii in in vitro evaluations. | Journal of medicinal chemistry 19960315 |
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