6-Amino-1-(2-furanylmethyl)-3-methyl-2,4(1H,3H)-pyrimidinedione - CAS 82593-39-3
Catalog: |
BB074774 |
Product Name: |
6-Amino-1-(2-furanylmethyl)-3-methyl-2,4(1H,3H)-pyrimidinedione |
CAS: |
82593-39-3 |
Synonyms: |
6-Amino-1-(furan-2-ylmethyl)-3-methylpyrimidine-2,4(1H,3H)-dione; 6-amino-1-(furan-2-ylmethyl)-3-methylpyrimidine-2,4-dione; 6-Amino-1-(2-furanylmethyl)-3-methyl-2,4(1H,3H)-pyrimidinedione; 6-amino-1-(2-furylmethyl)-3-methyl-2,4(1H,3H)-pyrimidinedione |
IUPAC Name: | 6-amino-1-(furan-2-ylmethyl)-3-methylpyrimidine-2,4-dione |
Molecular Weight: | 221.21 |
Molecular Formula: | C10H11N3O3 |
Canonical SMILES: | CN1C(=O)C=C(N(C1=O)CC2=CC=CO2)N |
InChI: | InChI=1S/C10H11N3O3/c1-12-9(14)5-8(11)13(10(12)15)6-7-3-2-4-16-7/h2-5H,6,11H2,1H3 |
InChI Key: | GLBPQWWTTLGZCG-UHFFFAOYSA-N |
Appearance: | Yellow Solid |
Storage: | -20°C |
References: | Balo, M. C., et al. Bioorg. Med. Chem., 17, 6755 (2009). |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.08004122 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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