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PP58

CAT: 0607-BA8943-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8943-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
212391-58-7
Form
A solid
Molecular Formula
C22H19Cl2N5O2
Molecular Weight
456.32
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

2-[4-(2-Aminoethoxy)anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CAS Number212391-58-7
PubChem CID5327904
IUPAC Name2-[4-(2-aminoethoxy)anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC22H19Cl2N5O2
Molecular Weight456.3
XLogP3.9
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity648
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=C(C=C4)OCCN
InChI
InChI=1S/C22H19Cl2N5O2/c1-29-20-13(11-16(21(29)30)19-17(23)3-2-4-18(19)24)12-26-22(28-20)27-14-5-7-15(8-6-14)31-10-9-25/h2-8,11-12H,9-10,25H2,1H3,(H,26,27,28)
InChIKey
MAXZESONWXTISA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-(2-Aminoethoxy)anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CAS: 212391-58-7
CID: 5327904
Formula: C22H19Cl2N5O2
MW: 456.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.3
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass455.0915803
Monoisotopic Mass455.0915803
Topological Polar Surface Area93.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity648
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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