| CAS Number | 1000933-67-4 |
| Catalog Number | AG019KXK |
| Chemical Name | 2-(Chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine |
| IUPAC Name | 2-(chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine |
| InChI | InChI=1S/C19H14ClN3O/c20-11-14-22-18(21)16-15(12-7-3-1-4-8-12)17(24-19(16)23-14)13-9-5-2-6-10-13/h1-10H,11H2,(H2,21,22,23) |
| InChI Key | FMEVTKZWXSFLTQ-UHFFFAOYSA-N |
| MDL Number | MFCD09702314 |
| Molecular Formula | C19H14ClN3O |
| Molecular Weight | 335.7870 |
| SMILES | NC1=C2C(OC(C3=CC=CC=C3)=C2C4=CC=CC=C4)=NC(CCl)=N1 |
| Synonyms | 2-(chloromethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine,
1000933-67-4,
AC1Q51AY,
CTK6H6846,
ZINC12505987,
EN300-28902,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.791g/mol |
| Monoisotopic Mass | 335.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number