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MS0019266

CAT: 0013-GTR19198850-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198850-02Size:50 mg
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Description
MS0019266
CAS Number
124285-22-9
Smiles
C (=N\NC=1N=C (C) C=C (C) N1) (\C) /C2=CC=CC=N2
Molecular Formula
C13H15N5
Molecular Weight
241.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4,6-Dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-2-amine
CAS Number124285-22-9
PubChem CID9585588
IUPAC Name4,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-2-amine
Molecular FormulaC13H15N5
Molecular Weight241.29
XLogP2.4
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity281
SMILES
CC1=CC(=NC(=N1)N/N=C(\C)/C2=CC=CC=N2)C
InChI
InChI=1S/C13H15N5/c1-9-8-10(2)16-13(15-9)18-17-11(3)12-6-4-5-7-14-12/h4-8H,1-3H3,(H,15,16,18)/b17-11+
InChIKey
BHIARNUWMUBMHJ-GZTJUZNOSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-2-amine
CAS: 124285-22-9
CID: 9585588
Formula: C13H15N5
MW: 241.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.29
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass241.13274550
Monoisotopic Mass241.13274550
Topological Polar Surface Area63.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775569MS0019266
HY-129727(E) -MS0019266

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