6-amino-1,3-diethyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione - CAS 89073-60-9
Catalog: |
BB039337 |
Product Name: |
6-amino-1,3-diethyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione |
CAS: |
89073-60-9 |
Synonyms: |
6-amino-1,3-diethyl-5-nitrosopyrimidine-2,4-dione; 6-amino-1,3-diethyl-5-nitrosopyrimidine-2,4-dione |
IUPAC Name: | 6-amino-1,3-diethyl-5-nitrosopyrimidine-2,4-dione |
Description: | 6-amino-1,3-diethyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS# 89073-60-9) is a compound useful in organic synthesis. |
Molecular Weight: | 212.209 |
Molecular Formula: | C8H12N4O3 |
Canonical SMILES: | CCN1C(=C(C(=O)N(C1=O)CC)N=O)N |
InChI: | InChI=1S/C8H12N4O3/c1-3-11-6(9)5(10-15)7(13)12(4-2)8(11)14/h3-4,9H2,1-2H3 |
InChI Key: | GAZDRRFBKXZFCM-UHFFFAOYSA-N |
Boiling Point: | 276.1 ℃ at 760 mmHg |
Density: | 1.45 g/cm3 |
MDL: | MFCD00091956 |
LogP: | 0.61110 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-109879819-A | A kind of preparation method of istradefylline intermediate | 20190417 |
CN-106632332-A | Novel preparation method for Istradefylline | 20160926 |
CN-106632332-B | A kind of preparation method of istradefylline | 20160926 |
JP-2006265266-A | Method for producing uracil derivative | 20060623 |
JP-4480172-B2 | Method for producing uracil derivative | 20060623 |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.09094026 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.09094026 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 96.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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