| CAS Number | 1432892-68-6 |
| Catalog Number | AG00IZAR(AGN-PC-0WAYBF) |
| Chemical Name | methyl 6-({[(tert-butoxy)carbonyl]amino}amino)-2,5-dichloropyrimidine-4-carboxylate |
| IUPAC Name | methyl 2,5-dichloro-6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyrimidine-4-carboxylate |
| InChI | InChI=1S/C11H14Cl2N4O4/c1-11(2,3)21-10(19)17-16-7-5(12)6(8(18)20-4)14-9(13)15-7/h1-4H3,(H,17,19)(H,14,15,16) |
| InChI Key | IUAGEFHVZUXSQS-UHFFFAOYSA-N |
| MDL Number | MFCD24447579 |
| Molecular Formula | C11H14Cl2N4O4 |
| Molecular Weight | 337.1593 |
| SMILES | ClC1(=NC(NNC(=O)OC(C)(C)C)=C(Cl)C(=N1)C(=O)OC) |
| Synonyms | methyl 6-({[(tert-butoxy)carbonyl]amino}amino)-2,5-dichloropyrimidine-4-carboxylate,
1432892-68-6,
KS-00001PWZ,
ZX-RL000863,
MFCD24447579,
ZINC91293263,
AKOS015996912,
BH-0707,
OR303264,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.157g/mol |
| Monoisotopic Mass | 336.039g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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