FOL7185

CAT: 0013-GTR19197611-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19197611-01Size:25 mg

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Description

FOL7185

CAS Number

5441-46-3

Field of Research

Infectious Disease & Virology

Smiles

CN1N=CC2=C1N=CN=C2NCC1=CC=C (Cl) C=C1

Molecular Formula

C13H12ClN5

Molecular Weight

273.72

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine

CAS Number	5441-46-3
PubChem CID	228292
IUPAC Name	N-[(4-chlorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
Molecular Formula	C13H12ClN5
Molecular Weight	273.72
XLogP	2.6
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	295

SMILES

CN1C2=NC=NC(=C2C=N1)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H12ClN5/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)

InChIKey

JMHQWHUUDRUTPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5441-46-3

CID: 228292

Formula: C13H12ClN5

MW: 273.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.72
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	273.0781231
Monoisotopic Mass	273.0781231
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	295
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
T27346-01	FOL7185