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PD 166285

CAT: 0926-FP26776-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FP26776-02Size:5 mg
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CAS Number
212391-63-4
Synonyms
6- (2,6-Dichlorophenyl) -2-[[4-[2- (diethylamino) ethoxy]phenyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7 (8H) -one
Smiles
CCN (CC) CCOC1=CC=C (C=C1) NC2=NC=C3C=C (C (=O) N (C3=N2) C) C4=C (C=CC=C4Cl) Cl.Cl.Cl
Molecular Formula
C26H29Cl4N5O2
Molecular Weight
585.35 g/mol
Controlled
No

Chemical Information

PD 166285

structure in first source

CAS Number212391-63-4
PubChem CID9916391
IUPAC Name6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;dihydrochloride
Molecular FormulaC26H29Cl4N5O2
Molecular Weight585.3
Topological Polar Surface Area70.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity719
SMILES
CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl.Cl.Cl
InChI
InChI=1S/C26H27Cl2N5O2.2ClH/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28;;/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31);2*1H
InChIKey
NADLBPWBFGTESN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD 166285
CAS: 212391-63-4
CID: 9916391
Formula: C26H29Cl4N5O2
MW: 585.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass585.104586
Monoisotopic Mass583.107536
Topological Polar Surface Area70.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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