| CAS Number | 946706-58-7 |
| Catalog Number | AG006T7M(AGN-PC-0WB3TT) |
| Chemical Name | 2-Ethylamino-pyrimidine-5-carboxylic acid |
| IUPAC Name | 2-(ethylamino)pyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C7H9N3O2/c1-2-8-7-9-3-5(4-10-7)6(11)12/h3-4H,2H2,1H3,(H,11,12)(H,8,9,10) |
| InChI Key | LWGUFUMSHBQUFV-UHFFFAOYSA-N |
| MDL Number | MFCD09864413 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | C1(C=NC(=NC=1)NCC)C(O)=O |
| Synonyms | 2-(Ethylamino)pyrimidine-5-carboxylic acid,
946706-58-7,
2-Ethylamino-pyrimidine-5-carboxylic acid,
SCHEMBL186359,
CTK5H6953,
DTXSID20589761,
ZINC8730903,
MFCD09864413,
AKOS000283868,
AJ-59118,
DA-18692,
2-(Ethylamino)-5-pyrimidinecarboxylic acid,
FT-0707746,
5-Pyrimidinecarboxylic acid, 2-(ethylamino)-,
Y-5770,
2-(Ethylamino)pyrimidine-5-carboxylic acid, AldrichCPR,
2- PYRIMIDINE-5-CARBOXYLICACID,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.168g/mol |
| Monoisotopic Mass | 167.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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