| CAS Number | 1017782-56-7 |
| Catalog Number | AG00ITMA(AGN-PC-0WAXTO) |
| Chemical Name | Tert-butyl 4-(6-chloro-5-(hydroxymethyl)pyrimidin-4-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]piperazine-1-carboxylate |
| InChI | InChI=1S/C14H21ClN4O3/c1-14(2,3)22-13(21)19-6-4-18(5-7-19)12-10(8-20)11(15)16-9-17-12/h9,20H,4-8H2,1-3H3 |
| InChI Key | IFMZXONHGLMRMM-UHFFFAOYSA-N |
| MDL Number | MFCD09972226 |
| Molecular Formula | C14H21ClN4O3 |
| Molecular Weight | 328.7945 |
| SMILES | ClC1=C(C(=NC=N1)N1CCN(CC1)C(=O)OC(C)(C)C)CO |
| Synonyms | tert-butyl 4-[6-chloro-5-(hydroxymethyl)-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarboxylate,
1017782-56-7,
tert-Butyl 4-(6-chloro-5-(hydroxymethyl)pyrimidin-4-yl)piperazine-1-carboxylate,
tert-butyl 4-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]piperazine-1-carboxylate,
CTK8A2291,
KS-000021YY,
MFCD09972226,
ZINC14007312,
AKOS005071561,
RP16609,
AJ-64609,
TR-064216,
chlorohydroxymethylpyrimidinyltetrahydropyrazinecarboxylate,
AC-5007,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.797g/mol |
| Monoisotopic Mass | 328.13g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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