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2-ethylpyrimidin-5-amine

CAT: 0926-CWB51974-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-CWB51974-01Size:100 mg
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CAS Number
1152519-74-8
MDL Number
MFCD11103239
Smiles
CCC1=NC=C (C=N1) N
Molecular Formula
C6H9N3
Molecular Weight
123.16 g/mol
Controlled
No

Chemical Information

2-Ethylpyrimidin-5-amine
CAS Number1152519-74-8
PubChem CID43142246
IUPAC Name2-ethylpyrimidin-5-amine
Molecular FormulaC6H9N3
Molecular Weight123.16
XLogP0.4
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity76
SMILES
CCC1=NC=C(C=N1)N
InChI
InChI=1S/C6H9N3/c1-2-6-8-3-5(7)4-9-6/h3-4H,2,7H2,1H3
InChIKey
BUOOSXRJFONRBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylpyrimidin-5-amine
CAS: 1152519-74-8
CID: 43142246
Formula: C6H9N3
MW: 123.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight123.16
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass123.079647300
Monoisotopic Mass123.079647300
Topological Polar Surface Area51.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity76.4
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