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5-Ethoxypyrimidin-2-amine

CAT: 0926-PBA26874-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-PBA26874-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39268-74-1
MDL Number
MFCD00223638
Smiles
CCOC1=CN=C (N=C1) N
Molecular Formula
C6H9N3O
Molecular Weight
139.16 g/mol
Controlled
No

Chemical Information

5-Ethoxypyrimidin-2-amine
CAS Number39268-74-1
PubChem CID45080359
IUPAC Name5-ethoxypyrimidin-2-amine
Molecular FormulaC6H9N3O
Molecular Weight139.16
XLogP0.2
Topological Polar Surface Area61
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity91
SMILES
CCOC1=CN=C(N=C1)N
InChI
InChI=1S/C6H9N3O/c1-2-10-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKey
NGWGYIGTWBAKAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethoxypyrimidin-2-amine
CAS: 39268-74-1
CID: 45080359
Formula: C6H9N3O
MW: 139.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.16
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass139.074561919
Monoisotopic Mass139.074561919
Topological Polar Surface Area61 Ų
Heavy Atom Count10
Formal Charge0
Complexity91
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