4-Amino-2-ethyl-5-pyrimidinecarbonitrile - CAS 76574-45-3
Catalog: |
BB074786 |
Product Name: |
4-Amino-2-ethyl-5-pyrimidinecarbonitrile |
CAS: |
76574-45-3 |
Synonyms: |
4-amino-2-ethylpyrimidine-5-carbonitrile; 5-Pyrimidinecarbonitrile,4-amino-2-ethyl- |
IUPAC Name: | 4-amino-2-ethylpyrimidine-5-carbonitrile |
Molecular Weight: | 148.17 |
Molecular Formula: | C7H8N4 |
Canonical SMILES: | CCC1=NC=C(C(=N1)N)C#N |
InChI: | InChI=1S/C7H8N4/c1-2-6-10-4-5(3-8)7(9)11-6/h4H,2H2,1H3,(H2,9,10,11) |
InChI Key: | IICZPRJRQVCUPF-UHFFFAOYSA-N |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.074896272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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