2-Amino-5-(benzyloxy)pyrimidin-4(3H)-one - CAS 93534-87-3
Catalog: |
BB040958 |
Product Name: |
2-Amino-5-(benzyloxy)pyrimidin-4(3H)-one |
CAS: |
93534-87-3 |
Synonyms: |
2-amino-5-phenylmethoxy-1H-pyrimidin-6-one; 2-amino-5-phenylmethoxy-1H-pyrimidin-6-one |
IUPAC Name: | 2-amino-5-phenylmethoxy-1H-pyrimidin-6-one |
Description: | 2-Amino-5-(benzyloxy)pyrimidin-4(3H)-one (CAS# 93534-87-3 ) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C11H11N3O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CN=C(NC2=O)N |
InChI: | InChI=1S/C11H11N3O2/c12-11-13-6-9(10(15)14-11)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,12,13,14,15) |
InChI Key: | FXXPDGSSPYTMKH-UHFFFAOYSA-N |
Boiling Point: | 473.2 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.51230 |
Publication Number | Title | Priority Date |
EP-2694484-B1 | Pyrimidine derivatives for the treatment of viral infections | 20110408 |
EP-3330257-A1 | Pyrimidine derivatives for the treatment of viral infections | 20110408 |
US-10272085-B2 | Pyrimidine derivatives for the treatment of viral infections | 20110408 |
US-10420767-B2 | Pyrimidine derivatives for the treatment of viral infections | 20110408 |
US-2014045849-A1 | Pyrimidine derivatives for the treatment of viral infections | 20110408 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.085126602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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