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PD-089828 10mg

CAT: 0628-A22103-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A22103-10Size:10 mg
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CAS Number
179343-17-0

Chemical Information

1-(2-Amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl)-3-(tert-butyl)urea
CAS Number179343-17-0
PubChem CID5328112
IUPAC Name1-[2-amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
Molecular FormulaC18H18Cl2N6O
Molecular Weight405.3
XLogP3.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity520
SMILES
CC(C)(C)NC(=O)NC1=C(C=C2C=NC(=NC2=N1)N)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C18H18Cl2N6O/c1-18(2,3)26-17(27)25-15-10(13-11(19)5-4-6-12(13)20)7-9-8-22-16(21)24-14(9)23-15/h4-8H,1-3H3,(H4,21,22,23,24,25,26,27)
InChIKey
RRWSNCZYJCOEFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl)-3-(tert-butyl)urea
CAS: 179343-17-0
CID: 5328112
Formula: C18H18Cl2N6O
MW: 405.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.3
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass404.0919146
Monoisotopic Mass404.0919146
Topological Polar Surface Area106 Ų
Heavy Atom Count27
Formal Charge0
Complexity520
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