| CAS Number | 916056-77-4 |
| Catalog Number | AG006FSP(AGN-PC-0CFBQQ) |
| Chemical Name | Ethyl 2-aminopyrimidine-4-carboxylate |
| IUPAC Name | ethyl 2-aminopyrimidine-4-carboxylate |
| InChI | InChI=1S/C7H9N3O2/c1-2-12-6(11)5-3-4-9-7(8)10-5/h3-4H,2H2,1H3,(H2,8,9,10) |
| InChI Key | CPCALRCXLGUQIL-UHFFFAOYSA-N |
| MDL Number | MFCD21608019 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | O=C(C1=NC(N)=NC=C1)OCC |
| Synonyms | Ethyl 2-aminopyrimidine-4-carboxylate,
916056-77-4,
4-Pyrimidinecarboxylic acid, 2-amino-, ethyl ester,
SCHEMBL12228832,
CTK3G4043,
DTXSID50729330,
5418AC,
MFCD21608019,
ZINC90470854,
AKOS016842715,
AB76641,
AS-47081,
AJ-128767,
CS-0045655,
Z1982493942,
C7H9N3O2,
ETHYL2-AMINOPYRIMIDINE-4-CARBOXYLATE,
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| Complexity | 163 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.168g/mol |
| Monoisotopic Mass | 167.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number