| CAS Number | 1353956-33-8 |
| Catalog Number | AG009I8E(AGN-PC-0WD6LF) |
| Chemical Name | tert-butyl 2-({[6-(cyclopropylamino)pyrimidin-4-yl]amino}methyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C18H29N5O2/c1-18(2,3)25-17(24)23-9-5-4-6-14(23)11-19-15-10-16(21-12-20-15)22-13-7-8-13/h10,12-14H,4-9,11H2,1-3H3,(H2,19,20,21,22) |
| InChI Key | RJNCSPDMCUBQBF-UHFFFAOYSA-N |
| MDL Number | MFCD21098725 |
| Molecular Formula | C18H29N5O2 |
| Molecular Weight | 347.4552 |
| SMILES | O=C(N1C(CNC2=NC=NC(NC3CC3)=C2)CCCC1)OC(C)(C)C |
| Synonyms | 1353956-33-8,
tert-Butyl 2-(((6-(cyclopropylamino)pyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate,
2-[(6-Cyclopropylamino-pyrimidin-4-ylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester,
AKOS024463177,
AK160314,
AX8293471,
CS-0060940,
ST24049622,
2-[(6-Cyclopropylaminopyrimidin-4-ylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 449 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.463g/mol |
| Monoisotopic Mass | 347.232g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number