| CAS Number | 956128-01-1 |
| Catalog Number | AG00H8R0(AGN-PC-07YKE9) |
| Chemical Name | 3-((5-(3-(DIMETHYLAMINO)PHENOXY)PYRIMIDIN-2-YL)AMINO)PHENOL |
| IUPAC Name | 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol |
| InChI | InChI=1S/C18H18N4O2/c1-22(2)14-6-4-8-16(10-14)24-17-11-19-18(20-12-17)21-13-5-3-7-15(23)9-13/h3-12,23H,1-2H3,(H,19,20,21) |
| InChI Key | MFPAAKZZUIRMKR-UHFFFAOYSA-N |
| MDL Number | MFCD14708243 |
| Molecular Formula | C18H18N4O2 |
| Molecular Weight | 322.3611 |
| SMILES | CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1 |
| Synonyms | 956128-01-1,
3-(5-(3-(dimethylamino)phenoxy)pyrimidin-2-ylamino)phenol,
3-((5-(3-(Dimethylamino)phenoxy)pyrimidin-2-yl)amino)phenol,
3-[[5-[3-(dimethylamino)phenoxy]-2-pyrimidinyl]amino]phenol,
3-({5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl}amino)phenol,
SCHEMBL3602388,
CHEMBL2386874,
CTK5H7888,
DTXSID40676566,
SEN 1269,
4350AF,
ZINC49582255,
AKOS015850742,
NCGC00387448-01,
DB-080315,
TC-064564,
FT-0682533,
I06-2365,
MFPAAKZZUIRMKR-UHFFFAOYSA-N,
C18H18N4O2,
A11161,
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| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.368g/mol |
| Monoisotopic Mass | 322.143g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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