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9-Isopropylolomoucine

CAT: 0931-T23589-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T23589-01Size:1 mg
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CAS Number
158982-15-1
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
>99.99%
Bioactivity
9-Isopropylolomoucine (N9-Isopropylolomoucine), a cell cycle protein-dependent kinase inhibitor, is a thiopurine.
Smiles
C(C)(C)N1C=2C(=C(NCC3=CC=CC=C3)N=C(NCCO)N2)N=C1
Molecular Formula
C17H22N6O
Molecular Weight
326.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl)amino)ethan-1-ol

2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]ethanol is a thiopurine.

CAS Number158982-15-1
PubChem CID6610355
IUPAC Name2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]ethanol
Molecular FormulaC17H22N6O
Molecular Weight326.4
XLogP2.2
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity376
SMILES
CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NCC3=CC=CC=C3
InChI
InChI=1S/C17H22N6O/c1-12(2)23-11-20-14-15(19-10-13-6-4-3-5-7-13)21-17(18-8-9-24)22-16(14)23/h3-7,11-12,24H,8-10H2,1-2H3,(H2,18,19,21,22)
InChIKey
WHDJEAZLMYPLGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl)amino)ethan-1-ol
CAS: 158982-15-1
CID: 6610355
Formula: C17H22N6O
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass326.18550935
Monoisotopic Mass326.18550935
Topological Polar Surface Area87.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity376
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