2-Cyclopropyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic Acid - CAS 858956-25-9
Catalog: |
BB037758 |
Product Name: |
2-Cyclopropyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic Acid |
CAS: |
858956-25-9 |
Synonyms: |
2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxylic acid; 2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxylic acid |
IUPAC Name: | 2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxylic acid |
Description: | 2-Cyclopropyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic Acid (CAS# 858956-25-9) is a useful research chemical. |
Molecular Weight: | 180.16 |
Molecular Formula: | C8H8N2O3 |
Canonical SMILES: | C1CC1C2=NC(=CC(=O)N2)C(=O)O |
InChI: | InChI=1S/C8H8N2O3/c11-6-3-5(8(12)13)9-7(10-6)4-1-2-4/h3-4H,1-2H2,(H,12,13)(H,9,10,11) |
InChI Key: | IKDLJHIRCTZDND-UHFFFAOYSA-N |
Boiling Point: | 345.7 °C at 760 mmHg |
Density: | 1.7 g/cm3 |
LogP: | 0.75780 |
Publication Number | Title | Priority Date |
WO-2020182018-A1 | Nitrogen heterocyclic compound, preparation method therefor and use thereof | 20190312 |
CN-113330009-A | Nitrogen heterocyclic compound, preparation method and application thereof | 20190312 |
EP-3087060-A1 | Pyrimidone carboxamide compounds as pde2 inhibitors | 20131223 |
EP-3087060-B1 | Pyrimidone carboxamide compounds as pde2 inhibitors | 20131223 |
US-2017015633-A1 | Pyrimidone carboxamide compounds as pde2 inhibitors | 20131223 |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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