Products for Research Use Only

AZA197 10mg

CAT: 0628-A24247-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A24247-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1249398-09-1

Chemical Information

CID 46938132
CAS Number1249398-09-1
PubChem CID46938132
IUPAC Name2-N-[5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
Molecular FormulaC24H36N6
Molecular Weight408.6
XLogP5.2
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity471
SMILES
CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NCCC2=CNC3=CC=CC=C32)C
InChI
InChI=1S/C24H36N6/c1-5-30(6-2)15-9-10-18(3)27-24-28-19(4)16-23(29-24)25-14-13-20-17-26-22-12-8-7-11-21(20)22/h7-8,11-12,16-18,26H,5-6,9-10,13-15H2,1-4H3,(H2,25,27,28,29)
InChIKey
SUXUDORZKKZLJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 46938132
CAS: 1249398-09-1
CID: 46938132
Formula: C24H36N6
MW: 408.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight408.6
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass408.30014517
Monoisotopic Mass408.30014517
Topological Polar Surface Area68.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes