Cas no 127473-63-6 (2-Pyrimidinamine,5-(1-methylpropyl)-, (S)- (9CI))

2-Pyrimidinamine,5-(1-methylpropyl)-, (S)- (9CI) structure
127473-63-6 structure
Product Name:2-Pyrimidinamine,5-(1-methylpropyl)-, (S)- (9CI)
CAS No:127473-63-6
MF:C8H13N3
MW:151.208921194077
CID:103154
PubChem ID:14746488
Update Time:2025-04-18

2-Pyrimidinamine,5-(1-methylpropyl)-, (S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinamine,5-(1-methylpropyl)-, (S)- (9CI)
    • 2-Pyrimidinamine, 5-(1-methylpropyl)-, (S)- (9CI)
    • (S)-5-(sec-Butyl)pyrimidin-2-amine
    • 5-[(2S)-butan-2-yl]pyrimidin-2-amine
    • 127473-63-6
    • Inchi: 1S/C8H13N3/c1-3-6(2)7-4-10-8(9)11-5-7/h4-6H,3H2,1-2H3,(H2,9,10,11)/t6-/m0/s1
    • InChI Key: ITHMPJDZBHQGOS-LURJTMIESA-N
    • SMILES: N1C(N)=NC=C(C=1)[C@@H](C)CC

Computed Properties

  • Exact Mass: 151.11109
  • Monoisotopic Mass: 151.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 108
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 51.8
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