APY29 50mg

CAT: 0628-A13828-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A13828-50Size:50 mg

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

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CAS Number

1216665-49-4

Chemical Information

N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

CAS Number	1216665-49-4
PubChem CID	42627755
IUPAC Name	2-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
Molecular Formula	C17H16N8
Molecular Weight	332.4
XLogP	2.7
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	458

SMILES

C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)

InChIKey

WJNBSTLIALIIEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1216665-49-4

CID: 42627755

Formula: C17H16N8

MW: 332.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.4
XLogP3	2.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	332.14979254
Monoisotopic Mass	332.14979254
Topological Polar Surface Area	107 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	458
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
B3288-25	APY29
TRC-A735422-10MG	APY29 Hydrochloride Salt