2-Amino-5-methoxypyrimidine - CAS 13418-77-4
Catalog: |
BB007889 |
Product Name: |
2-Amino-5-methoxypyrimidine |
CAS: |
13418-77-4 |
Synonyms: |
5-methoxy-2-pyrimidinamine; 5-methoxypyrimidin-2-amine |
IUPAC Name: | 5-methoxypyrimidin-2-amine |
Description: | 2-Amino-5-methoxypyrimidine (CAS# 13418-77-4) is a compound useful in organic synthesis. |
Molecular Weight: | 125.13 |
Molecular Formula: | C5H7N3O |
Canonical SMILES: | COC1=CN=C(N=C1)N |
InChI: | InChI=1S/C5H7N3O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3,(H2,6,7,8) |
InChI Key: | KAHHAPNRIQLSFT-UHFFFAOYSA-N |
Boiling Point: | 313.1 ℃ at 760 mmHg |
Density: | 1.224 g/cm3 |
Appearance: | Off-white powder |
Storage: | Keep in dark place, Inert atmosphere, 2-8 ℃ |
MDL: | MFCD00187864 |
LogP: | 0.64860 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021048342-A1 | Antibacterial compounds | 20190913 |
WO-2020069335-A2 | Inhibitors of vap-1 | 20180928 |
CN-113164489-A | Inhibitors of VAP-1 | 20180928 |
EP-3856194-A2 | Inhibitors of vap-1 | 20180928 |
AU-2018360855-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 80.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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Amines and Anilines
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