Palbociclib Impurity 70

CAT: 1299-RM-P020370-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P020370-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

868591-58-6

Synonyms

2-chloro-N-cyclopentylpyrimidin-4-amine

Molecular Formula

C9H12ClN3

Molecular Weight

197.66

Target Alternative Name

Palbociclib

Product Name Synonym

2-chloro-N-cyclopentylpyrimidin-4-amine

Chemical Information

2-chloro-N-cyclopentylpyrimidin-4-amine

CAS Number	868591-58-6
PubChem CID	62344053
IUPAC Name	2-chloro-N-cyclopentylpyrimidin-4-amine
Molecular Formula	C9H12ClN3
Molecular Weight	197.66
XLogP	2.8
Topological Polar Surface Area	37.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	159

SMILES

C1CCC(C1)NC2=NC(=NC=C2)Cl

InChI

InChI=1S/C9H12ClN3/c10-9-11-6-5-8(13-9)12-7-3-1-2-4-7/h5-7H,1-4H2,(H,11,12,13)

InChIKey

RAWKDZURTZRMEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 868591-58-6

CID: 62344053

Formula: C9H12ClN3

MW: 197.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.66
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	197.0719751
Monoisotopic Mass	197.0719751
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes