Ethyl-2,4-diamino-pyrimidine-5-carboxylate - CAS 15400-54-1
Catalog: |
BB010958 |
Product Name: |
Ethyl-2,4-diamino-pyrimidine-5-carboxylate |
CAS: |
15400-54-1 |
Synonyms: |
ethyl 2,4-diamino-5-pyrimidinecarboxylate |
IUPAC Name: | ethyl 2,4-diaminopyrimidine-5-carboxylate |
Description: | Ethyl-2,4-diamino-pyrimidine-5-carboxylate (CAS# 15400-54-1) is a useful research chemical. |
Molecular Weight: | 182.18 |
Molecular Formula: | C7H10N4O2 |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1N)N |
InChI: | InChI=1S/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11) |
InChI Key: | MANFWSKJPOXKJZ-UHFFFAOYSA-N |
Boiling Point: | 413.9 °C at 760 mmHg |
Density: | 1.351 g/cm3 |
Appearance: | Pale yellow solid |
MDL: | MFCD04973411 |
LogP: | 0.98010 |
Publication Number | Title | Priority Date |
AU-2006322564-A1 | Useful combinations of monobactam antibiotics with beta-lactamase inhibitors | 20051207 |
AU-2006322564-B2 | Useful combinations of monobactam antibiotics with beta-lactamase inhibitors | 20051207 |
AU-2010246404-A1 | Useful combinations of monobactam antibiotics with beta-lactamase inhibitors | 20051207 |
AU-2010246404-B2 | Useful combinations of monobactam antibiotics with beta-lactamase inhibitors | 20051207 |
AU-2012233003-A1 | Useful combinations of monobactam antibiotics with beta-lactamase inhibitors | 20051207 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.08037557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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