4-Amino-6-oxo-1,6-dihydropyrimidine-5-carbonitrile - CAS 109831-83-6
Catalog: |
BB002550 |
Product Name: |
4-Amino-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
CAS: |
109831-83-6 |
Synonyms: |
4-amino-6-oxo-1H-pyrimidine-5-carbonitrile; 4-amino-6-oxo-1H-pyrimidine-5-carbonitrile |
IUPAC Name: | 4-amino-6-oxo-1H-pyrimidine-5-carbonitrile |
Description: | 4-Amino-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (CAS# 109831-83-6 ) is a useful research chemical. |
Molecular Weight: | 136.11 |
Molecular Formula: | C5H4N4O |
Canonical SMILES: | C1=NC(=C(C(=O)N1)C#N)N |
InChI: | InChI=1S/C5H4N4O/c6-1-3-4(7)8-2-9-5(3)10/h2H,(H3,7,8,9,10) |
InChI Key: | GKNRELVWAMNDAS-UHFFFAOYSA-N |
LogP: | 0.21728 |
Publication Number | Title | Priority Date |
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Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.03851076 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.03851076 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 91.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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