ARN25068

CAT: 0127-BUP11651-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11651-05Size:100 mg

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

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CAS Number

2649882-80-2

Purity

=98%

Smiles

N(C1=C2C(=NC(NCC3=CC=CC=C3)=N1)C=CS2)C=4C=C(NN4)C5CC5

Chemical Information

CID 49830886

CAS Number	2649882-80-2
PubChem CID	49830886
IUPAC Name	2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
Molecular Formula	C19H18N6S
Molecular Weight	362.5
XLogP	4.2
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	469

SMILES

C1CC1C2=CC(=NN2)NC3=NC(=NC4=C3SC=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C19H18N6S/c1-2-4-12(5-3-1)11-20-19-21-14-8-9-26-17(14)18(23-19)22-16-10-15(24-25-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,20,21,22,23,24,25)

InChIKey

TVUWQDLBEOZVOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2649882-80-2

CID: 49830886

Formula: C19H18N6S

MW: 362.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.5
XLogP3	4.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	362.13136577
Monoisotopic Mass	362.13136577
Topological Polar Surface Area	107 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	469
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
BA8695-5	ARN25068