Cas no 1383777-81-8 (2-chloro-7,7-dimethyl-1H,4H,6H,7H,8H-1,3diazino1,2-apyrimidin-4-one)

2-chloro-7,7-dimethyl-1H,4H,6H,7H,8H-1,3diazino1,2-apyrimidin-4-one structure
1383777-81-8 structure
Product Name:2-chloro-7,7-dimethyl-1H,4H,6H,7H,8H-1,3diazino1,2-apyrimidin-4-one
CAS No:1383777-81-8
MF:C9H12ClN3O
MW:213.664080619812
CID:2112748
Update Time:2023-11-22

2-chloro-7,7-dimethyl-1H,4H,6H,7H,8H-1,3diazino1,2-apyrimidin-4-one Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-1,6,7,8-tetrahydro-7,7-dimethyl-4H-Pyrimido[1,2-a]pyrimidin-4-one
    • XKJGJWIBHAZENY-UHFFFAOYSA-N
    • 2-chloro-7,7-dimethyl-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
    • 2-chloro-7,7-dimethyl-1H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidin-4-one
    • CID 136344292
    • 4H-Pyrimido[1,2-a]pyrimidin-4-one, 2-chloro-1,6,7,8-tetrahydro-7,7-dimethyl-
    • 2-chloro-7,7-dimethyl-1H,4H,6H,7H,8H-1,3diazino1,2-apyrimidin-4-one
    • Inchi: 1S/C9H12ClN3O/c1-9(2)4-11-8-12-6(10)3-7(14)13(8)5-9/h3H,4-5H2,1-2H3,(H,11,12)
    • InChI Key: XKJGJWIBHAZENY-UHFFFAOYSA-N
    • SMILES: ClC1=CC(N2C(=N1)NCC(C)(C)C2)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 346
  • Topological Polar Surface Area: 44.7

2-chloro-7,7-dimethyl-1H,4H,6H,7H,8H-1,3diazino1,2-apyrimidin-4-one Pricemore >>

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Enamine
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Enamine
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