| CAS Number | 41862-13-9 |
| Catalog Number | AG00CLOX(AGN-PC-0WAKE3) |
| Chemical Name | 6-aMino-3-Methyl-1-(ethyl)-1,2,3,4-tetrahydropyriMidine-2,4-dione |
| IUPAC Name | 6-amino-1-ethyl-3-methylpyrimidine-2,4-dione |
| InChI | InChI=1S/C7H11N3O2/c1-3-10-5(8)4-6(11)9(2)7(10)12/h4H,3,8H2,1-2H3 |
| InChI Key | DWCWSRSRTSZFNF-UHFFFAOYSA-N |
| MDL Number | MFCD20697340 |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.1811 |
| SMILES | O=C1N(C)C(C=C(N)N1CC)=O |
| Synonyms | 41862-13-9,
6-Amino-1-ethyl-3-methyl-2,4(1H,3H)-pyrimidinedione,
6-amino-1-ethyl-3-methylpyrimidine-2,4(1H,3H)-dione,
SCHEMBL17582653,
DWCWSRSRTSZFNF-UHFFFAOYSA-N,
KS-000001SV,
MFCD20697340,
ZINC25491929,
AKOS022637861,
6-amino-3-methyl-1-(ethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.184g/mol |
| Monoisotopic Mass | 169.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number