| CAS Number | 1057682-19-5 |
| Catalog Number | AG008U70(AGN-PC-0BV2RI) |
| Chemical Name | Methyl 2-(piperazin-1-yl)pyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-piperazin-1-ylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C10H14N4O2/c1-16-9(15)8-6-12-10(13-7-8)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3 |
| InChI Key | VJGHOGNHILBYCU-UHFFFAOYSA-N |
| MDL Number | MFCD22126106 |
| Molecular Formula | C10H14N4O2 |
| Molecular Weight | 222.2438 |
| SMILES | COC(C1=CN=C(N2CCNCC2)N=C1)=O |
| Synonyms | methyl 2-(piperazin-1-yl)pyrimidine-5-carboxylate,
1057682-19-5,
SCHEMBL3613525,
DTXSID90726808,
VJGHOGNHILBYCU-UHFFFAOYSA-N,
8250AC,
MFCD22126106,
ZINC72190680,
AKOS015991275,
BG-0723,
AJ-119376,
AX8249127,
KS-00002305,
2-piperazin-1-yl-pyrimidine-5-carboxylic acid methyl ester,
C10H14N4O2,
Methyl2-(piperazin-1-yl)pyrimidine-5-carboxylate,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.248g/mol |
| Monoisotopic Mass | 222.112g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number