Cas no 118252-37-2 (Phenol,2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxy-)

Phenol,2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxy- structure
118252-37-2 structure
Product Name:Phenol,2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxy-
CAS No:118252-37-2
MF:C16H17N5O2
MW:311.338482618332
CID:213818
PubChem ID:3081153
Update Time:2025-04-19

Phenol,2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Phenol,2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxy-
    • 2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
    • 2'-demethylpiritrexim
    • Phenol, 2-((2,4-diamino-5-methylpyrido(2,3-d)pyrimidin-6-yl)methyl)-4-methoxy-
    • 6-(2-Hydroxy-5-methoxybenzyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
    • 2/'-Demethylpiritrexim
    • 118252-37-2
    • DTXSID70152060
    • CHEMBL548327
    • SCHEMBL10644399
    • Inchi: 1S/C16H17N5O2/c1-8-10(5-9-6-11(23-2)3-4-12(9)22)7-19-15-13(8)14(17)20-16(18)21-15/h3-4,6-7,22H,5H2,1-2H3,(H4,17,18,19,20,21)
    • InChI Key: YXFRPMAJOWELER-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1CC1C=NC2C(=C(N)N=C(N)N=2)C=1C)OC

Computed Properties

  • Exact Mass: 311.13841
  • Monoisotopic Mass: 311.13822480g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 399
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 120?2

Experimental Properties

  • PSA: 120.17
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