| CAS Number | 79595-73-6 |
| Catalog Number | AG00IUS0(AGN-PC-0WB05I) |
| Chemical Name | 2,6-diamino-5-iodo-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 2,4-diamino-5-iodo-1H-pyrimidin-6-one |
| InChI | InChI=1S/C4H5IN4O/c5-1-2(6)8-4(7)9-3(1)10/h(H5,6,7,8,9,10) |
| InChI Key | WTOKUXALNIDDJE-UHFFFAOYSA-N |
| MDL Number | MFCD28369724 |
| Molecular Formula | C4H5IN4O |
| Molecular Weight | 252.0132 |
| SMILES | NC1NC(=O)C(I)=C(N)N=1 |
| Synonyms | 2,6-diamino-5-iodopyrimidin-4-ol,
79595-73-6,
KS-00001Q6U,
ZINC25492122,
AKOS025393378,
FCH3833831,
HG-0206,
OR311144,
2,6-diamino-5-iodopyrimidin-4(3h)-one,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.015g/mol |
| Monoisotopic Mass | 251.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 93.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number