| CAS Number | 76574-34-0 |
| Catalog Number | AG00GBTU(AGN-PC-0WNN95) |
| Chemical Name | 4-Amino-2-(methoxymethyl)pyrimidine-5-carbonitrile |
| IUPAC Name | 4-amino-2-(methoxymethyl)pyrimidine-5-carbonitrile |
| InChI | InChI=1S/C7H8N4O/c1-12-4-6-10-3-5(2-8)7(9)11-6/h3H,4H2,1H3,(H2,9,10,11) |
| InChI Key | JQQQYSOCZGACIM-UHFFFAOYSA-N |
| MDL Number | MFCD19253056 |
| Molecular Formula | C7H8N4O |
| Molecular Weight | 164.1646 |
| SMILES | COCC1=NC(N)=C(C#N)C=N1 |
| Synonyms | 4-amino-2-(methoxymethyl)pyrimidine-5-carbonitrile,
76574-34-0,
4-amino-2-(methoxymethyl)-5-pyrimidinecarbonitrile,
KS-00003SDZ,
ZINC58038550,
AKOS013530120,
MCULE-7563446660,
NE28554,
TS-00122,
Z1675167216,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.168g/mol |
| Monoisotopic Mass | 164.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number