Longdaysin

CAT: 0127-BUP10261-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10261-02Size:10 mg

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

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CAS Number

1353867-91-0

Purity

=98%

Smiles

CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12

Chemical Information

9-Isopropyl-N-[3-(trifluoromethyl)benzyl]-9H-purin-6-amine

CAS Number	1353867-91-0
PubChem CID	49830252
IUPAC Name	9-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
Molecular Formula	C16H16F3N5
Molecular Weight	335.33
XLogP	3.5
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	417

SMILES

CC(C)N1C=NC2=C(N=CN=C21)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-4-3-5-12(6-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)

InChIKey

REKSFCCYDQMSIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1353867-91-0

CID: 49830252

Formula: C16H16F3N5

MW: 335.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	335.33
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	335.13578002
Monoisotopic Mass	335.13578002
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	417
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

Catalog	Name
527677	Longdaysin
A21022-5	Longdaysin 5mg
A21022-100	Longdaysin 100mg
A21022-50	Longdaysin 50mg
A21022-25	Longdaysin 25mg
A21022-200	Longdaysin 200mg
A21022-10	Longdaysin 10mg
A21022-10mM-D	Longdaysin 10mM * 1mL in DMSO
217514	Longdaysin (Casein Kinase I Inhibitor VII, 9-Isopropyl-N- (3- (trifluoromethyl) benzyl) -9H-purin-6-amine)