| CAS Number | 1311275-28-1 |
| Catalog Number | AG01DX0U(AGN-PC-0WC5TX) |
| Chemical Name | 5-Allyl-2-cyclopropylpyrimidine-4,6-diol |
| IUPAC Name | 2-cyclopropyl-4-hydroxy-5-prop-2-enyl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C10H12N2O2/c1-2-3-7-9(13)11-8(6-4-5-6)12-10(7)14/h2,6H,1,3-5H2,(H2,11,12,13,14) |
| InChI Key | ZTOIYCPSBBDXHY-UHFFFAOYSA-N |
| MDL Number | MFCD19105240 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | OC1=C(CC=C)C(O)=NC(C2CC2)=N1 |
| Synonyms | 5-Allyl-2-cyclopropylpyrimidine-4,6-diol,
1311275-28-1,
CTK5J3882,
MFCD19105240,
ZINC66323427,
AKOS015838943,
AS-43686,
TR-072500,
Z-0040,
2-cyclopropyl-5-(prop-2-en-1-yl)pyrimidine-4,6-diol,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.218g/mol |
| Monoisotopic Mass | 192.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number