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CAY10677

CAT: 0931-T35819-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T35819-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1443253-20-0
Target
Others, Transferase
Related Pathways
Others, Metabolism
Bioactivity
CAY10677 has a wide range of applications in life science related research.
Smiles
N1=CC(=CN=C1N)C2=CC=C3C(=C2)C(=CN3CCCCCCCC)CN(CC)CC
Molecular Formula
C25H37N5
Molecular Weight
407.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-[3-(Diethylaminomethyl)-1-octylindol-5-yl]pyrimidin-2-amine
CAS Number1443253-20-0
PubChem CID71660501
IUPAC Name5-[3-(diethylaminomethyl)-1-octylindol-5-yl]pyrimidin-2-amine
Molecular FormulaC25H37N5
Molecular Weight407.6
XLogP5.5
Topological Polar Surface Area60
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity460
SMILES
CCCCCCCCN1C=C(C2=C1C=CC(=C2)C3=CN=C(N=C3)N)CN(CC)CC
InChI
InChI=1S/C25H37N5/c1-4-7-8-9-10-11-14-30-19-22(18-29(5-2)6-3)23-15-20(12-13-24(23)30)21-16-27-25(26)28-17-21/h12-13,15-17,19H,4-11,14,18H2,1-3H3,(H2,26,27,28)
InChIKey
HKAUEDVXIIXVGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[3-(Diethylaminomethyl)-1-octylindol-5-yl]pyrimidin-2-amine
CAS: 1443253-20-0
CID: 71660501
Formula: C25H37N5
MW: 407.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.6
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass407.30489620
Monoisotopic Mass407.30489620
Topological Polar Surface Area60 Ų
Heavy Atom Count30
Formal Charge0
Complexity460
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

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