| CAS Number | 1883545-60-5 |
| Catalog Number | AG01E3HR |
| Chemical Name | CRT0066101 2HCl |
| IUPAC Name | 2-[4-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-(1-methylpyrazol-4-yl)phenol;dihydrochloride |
| InChI | InChI=1S/C18H22N6O.2ClH/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13;;/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23);2*1H/t14-;;/m1../s1 |
| InChI Key | CXYCRYGNFKDPRH-FMOMHUKBSA-N |
| MDL Number | MFCD30182249 |
| Molecular Formula | C18H24Cl2N6O |
| Molecular Weight | 411.3288 |
| SMILES | OC1=CC=C(C2=CN(C)N=C2)C=C1C3=NC=CC(NC[C@H](N)CC)=N3.[H]Cl.[H]Cl |
| Synonyms | CRT 0066101,
CRT-0066101,
CRT0066101,
1883545-60-5,
CRT 0066101,
CRT0066101 2HCl,
CRT0066101 2HCl,
EX-A1267,
HY-15698A,
s8366,
AKOS027470155,
CS-7805,
A16318,
(R)-2-(4-((2-aminobutyl)amino)pyrimidin-2-yl)-4-(1-methyl-1H-pyrazol-4-yl)phenol dihydrochloride,
2-[4-((2r)-2-aminobutyl-amino)-pyrimidin-2-yl]-4-(1-methyl-1h-pyrazol-4-yl)-phenol dihydrochloride,
2-[4-[[(2R)-2-aminobutyl]amino]-2-pyrimidinyl]-4-(1-methyl-1H-pyrazol-4-yl)phenol dihydrochloride,
CRT0066101 Dihydrochloride,
CRT0066101,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 410.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 411.331g/mol |
| Monoisotopic Mass | 410.139g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number