Ethyl 4-Aminopyrimidine-5-carboxylate - CAS 65195-35-9
Catalog: |
BB032658 |
Product Name: |
Ethyl 4-Aminopyrimidine-5-carboxylate |
CAS: |
65195-35-9 |
Synonyms: |
4-amino-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-aminopyrimidine-5-carboxylate |
IUPAC Name: | ethyl 4-aminopyrimidine-5-carboxylate |
Description: | Ethyl 4-Aminopyrimidine-5-carboxylate (CAS# 65195-35-9) is a substituted pyrimidine and an intermediate in the synthesis of Thiamine (T344185) analogues. |
Molecular Weight: | 167.17 |
Molecular Formula: | C7H9N3O2 |
Canonical SMILES: | CCOC(=O)C1=CN=CN=C1N |
InChI: | InChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-9-4-10-6(5)8/h3-4H,2H2,1H3,(H2,8,9,10) |
InChI Key: | OBBDJDIJXFWRJK-UHFFFAOYSA-N |
Boiling Point: | 304 °C at 760 mmHg |
Density: | 1.261 g/cm3 |
LogP: | 0.81670 |
Publication Number | Title | Priority Date |
US-2009018147-A1 | Compounds for modulating TRPV3 function | 20070510 |
US-2011151559-A1 | Compounds for Modulating TRPV3 Function | 20070510 |
US-2017224687-A1 | Compounds for modulating trpv3 function | 20070510 |
US-9486455-B2 | Compounds for modulating TRPV3 function | 20070510 |
WO-2008140750-A1 | Compounds for modulating trpv3 function | 20070510 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.069476538 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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