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PKR-IN-C51

CAT: 0607-BA8334-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8334-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1314594-23-4
Form
A solid
Molecular Formula
C23H21N5
Molecular Weight
367.45
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Pkr-IN-C51
CAS Number1314594-23-4
PubChem CID53307873
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
Molecular FormulaC23H21N5
Molecular Weight367.4
XLogP4.8
Topological Polar Surface Area69.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity513
SMILES
CC1=C(C2=CC=CC=C2N1)C3=NC(=NC=C3)NCCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C23H21N5/c1-15-22(18-7-3-5-9-20(18)27-15)21-11-13-25-23(28-21)24-12-10-16-14-26-19-8-4-2-6-17(16)19/h2-9,11,13-14,26-27H,10,12H2,1H3,(H,24,25,28)
InChIKey
IDAWNFCAFDXMER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pkr-IN-C51
CAS: 1314594-23-4
CID: 53307873
Formula: C23H21N5
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass367.17969569
Monoisotopic Mass367.17969569
Topological Polar Surface Area69.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity513
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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