| CAS Number | 726153-82-8 |
| Catalog Number | AG019HRD |
| Chemical Name | 6-Amino-1-butyl-5-{[(furan-2-yl)methyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 6-amino-1-butyl-5-(furan-2-ylmethylamino)pyrimidine-2,4-dione |
| InChI | InChI=1S/C13H18N4O3/c1-2-3-6-17-11(14)10(12(18)16-13(17)19)15-8-9-5-4-7-20-9/h4-5,7,15H,2-3,6,8,14H2,1H3,(H,16,18,19) |
| InChI Key | WBIWFAIZIFPOOH-UHFFFAOYSA-N |
| MDL Number | MFCD03964615 |
| Molecular Formula | C13H18N4O3 |
| Molecular Weight | 278.3070 |
| SMILES | CCCCN1C(=O)NC(=O)C(NCC2OC=CC=2)=C1N |
| Synonyms | 6-amino-1-butyl-5-[(furan-2-ylmethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione,
726153-82-8,
6-Amino-1-butyl-5-[(furan-2-ylmethyl)-amino]-1H-pyrimidine-2,4-dione,
AC1Q2WWI,
AC1M5S5S,
CTK6E2321,
ZINC3268073,
AKOS000123406,
NE28518,
EN300-04471,
SR-01000039487,
SR-01000039487-1,
6-amino-1-butyl-5-(furan-2-ylmethylamino)pyrimidine-2,4-dione,
ZINC03268073,
CID2384416,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.312g/mol |
| Monoisotopic Mass | 278.138g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number