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Sipatrigine 200mg

CAT: 0628-A12943-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A12943-200Size:200 mg
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CAS Number
130800-90-7

Chemical Information

Sipatrigine

Sipatrigine is a member of pyrimidines.

CAS Number130800-90-7
PubChem CID60803
IUPAC Name2-(4-methylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
Molecular FormulaC15H16Cl3N5
Molecular Weight372.7
XLogP3.6
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity393
SMILES
CN1CCN(CC1)C2=NC=C(C(=N2)N)C3=C(C(=CC(=C3)Cl)Cl)Cl
InChI
InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)
InChIKey
PDOCBJADCWMDGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sipatrigine
CAS: 130800-90-7
CID: 60803
Formula: C15H16Cl3N5
MW: 372.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.7
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass371.047129
Monoisotopic Mass371.047129
Topological Polar Surface Area58.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity393
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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