4-Amino-6-methoxypyrimidine - CAS 696-45-7
Catalog: |
BB033911 |
Product Name: |
4-Amino-6-methoxypyrimidine |
CAS: |
696-45-7 |
Synonyms: |
6-methoxypyrimidin-4-amine |
IUPAC Name: | 6-methoxypyrimidin-4-amine |
Description: | 4-Amino-6-methoxypyrimidine (CAS# 696-45-7) is used in the synthesis of carbamothiolacrylamides as selective EP2 antagonists in the treatment of neurodegenerative peripheral diseases. Also used in the preparation of PARP-1 inhibitors. |
Molecular Weight: | 125.13 |
Molecular Formula: | C5H7N3O |
Canonical SMILES: | COC1=NC=NC(=C1)N |
InChI: | InChI=1S/C5H7N3O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8) |
InChI Key: | VELRBZDRGTVGGT-UHFFFAOYSA-N |
Boiling Point: | 290.8 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.224 g/cm3 |
Appearance: | White to yellow powder. |
MDL: | MFCD00129983 |
LogP: | 0.64860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
17336582 | 20071101 | The hydrogen bonding and amino-imino tautomerization of the alkoxy-aminopyridines and amino-methoxypyrimidines with acetic acid The effects of the methoxy group | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 88.3 |
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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