| CAS Number | 929007-72-7 |
| Catalog Number | AG00GU2W(AGN-PC-0WD843) |
| Chemical Name | DB-07268 |
| IUPAC Name | 2-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzamide |
| InChI | InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22) |
| InChI Key | QHPKKGUGRGRSGA-UHFFFAOYSA-N |
| MDL Number | MFCD26960941 |
| Molecular Formula | C17H15N5O2 |
| Molecular Weight | 321.3333 |
| SMILES | OC=1C=C(C=CC1)NC1=NC=CC(=N1)NC1=C(C(=O)N)C=CC=C1 |
| Synonyms | DB07268,
929007-72-7,
2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE,
2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide,
DB-07268,
CHEBI:40332,
4-(2-carbamoylanilino)-2-(3-hydroxyanilino)pyrimidine,
4-anilinopyrimidine 2b,
2no3,
CHEMBL242237,
BDBM15978,
BCP16456,
EX-A2356,
MFCD26960941,
ZINC14960224,
AKOS027439962,
CS-1562,
NCGC00378943-01,
DB 07268,
HY-15737,
A15061,
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| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.34g/mol |
| Monoisotopic Mass | 321.123g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number