Palbociclib Impurity 53

CAT: 1596-AR-P30189-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30189-06Size:250 Units

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

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CAS Number

733039-20-8

Synonyms

5-bromo-2-chloro-N-cyclopentylpyrimidin-4-amine

Molecular Formula

C9H11BrClN3

Molecular Weight

276.56

API Name

Palbociclib

Chemical Information

5-Bromo-2-chloro-N-cyclopentyl-4-pyrimidinamine

See also: (5-Bromo-2-chloro-pyrimidin-4-yl)-cyclopentylamine (annotation moved to).

CAS Number	733039-20-8
PubChem CID	44248247
IUPAC Name	5-bromo-2-chloro-N-cyclopentylpyrimidin-4-amine
Molecular Formula	C9H11BrClN3
Molecular Weight	276.56
XLogP	3.4
Topological Polar Surface Area	37.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	187

SMILES

C1CCC(C1)NC2=NC(=NC=C2Br)Cl

InChI

InChI=1S/C9H11BrClN3/c10-7-5-12-9(11)14-8(7)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14)

InChIKey

DIVUXBABVYOIOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 733039-20-8

CID: 44248247

Formula: C9H11BrClN3

MW: 276.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.56
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	274.98249
Monoisotopic Mass	274.98249
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	187
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