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EHMT2-IN-1

CAT: 0607-BA4855-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4855-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230849-55-3
Form
A solid
Molecular Formula
C18H23N7O
Molecular Weight
353.42
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ehmt2-IN-1
CAS Number2230849-55-3
PubChem CID135154879
IUPAC Name2-N-[4-methoxy-3-[4-(methylaminomethyl)pyrazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
Molecular FormulaC18H23N7O
Molecular Weight353.4
XLogP2.1
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity426
SMILES
CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)N3C=C(C=N3)CNC)NC
InChI
InChI=1S/C18H23N7O/c1-12-7-17(20-3)24-18(22-12)23-14-5-6-16(26-4)15(8-14)25-11-13(9-19-2)10-21-25/h5-8,10-11,19H,9H2,1-4H3,(H2,20,22,23,24)
InChIKey
DJSJHTKOFPOYRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ehmt2-IN-1
CAS: 2230849-55-3
CID: 135154879
Formula: C18H23N7O
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass353.19640838
Monoisotopic Mass353.19640838
Topological Polar Surface Area88.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity426
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