| CAS Number | 866051-26-5 |
| Catalog Number | AG00IE56(AGN-PC-0WAVKX) |
| Chemical Name | 3-(2-Aminopyrimidin-4-yl)benzonitrile |
| IUPAC Name | 3-(2-aminopyrimidin-4-yl)benzonitrile |
| InChI | InChI=1S/C11H8N4/c12-7-8-2-1-3-9(6-8)10-4-5-14-11(13)15-10/h1-6H,(H2,13,14,15) |
| InChI Key | MEFJORIEWAGXCL-UHFFFAOYSA-N |
| MDL Number | MFCD05256217 |
| Molecular Formula | C11H8N4 |
| Molecular Weight | 196.2080 |
| SMILES | N#CC2(=CC(C1(=NC(=NC=C1)N))=CC=C2) |
| Synonyms | 3-(2-amino-4-pyrimidinyl)benzenecarbonitrile,
3-(2-aminopyrimidin-4-yl)benzonitrile,
866051-26-5,
866054-26-4,
AC1LS4TI,
ZINC1395709,
MFCD05256217,
AKOS013308911,
MCULE-4027724780,
6X-0878,
ZINC01395709,
CID1482358,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.213g/mol |
| Monoisotopic Mass | 196.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number