2-(oxan-4-yl)-3,4-dihydropyrimidin-4-one - CAS 1250122-56-5
Catalog: |
BB006044 |
Product Name: |
2-(oxan-4-yl)-3,4-dihydropyrimidin-4-one |
CAS: |
1250122-56-5 |
Synonyms: |
2-(4-oxanyl)-1H-pyrimidin-6-one; 2-(oxan-4-yl)-1H-pyrimidin-6-one |
IUPAC Name: | 2-(oxan-4-yl)-1H-pyrimidin-6-one |
Description: | 2-(oxan-4-yl)-3,4-dihydropyrimidin-4-one (CAS# 1250122-56-5) is a useful research chemical. |
Molecular Weight: | 180.207 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | C1COCCC1C2=NC=CC(=O)N2 |
InChI: | InChI=1S/C9H12N2O2/c12-8-1-4-10-9(11-8)7-2-5-13-6-3-7/h1,4,7H,2-3,5-6H2,(H,10,11,12) |
InChI Key: | IDLFCFXMSRPZSX-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
JP-2014156452-A | Method for producing tetrahydropyranylpyrimidine compound | 20120822 |
JP-2017186382-A | Method for producing tetrahydropyranylpyrimidine compound | 20120822 |
JP-6183053-B2 | Method for producing tetrahydropyranylpyrimidine compound | 20120822 |
WO-2009133970-A1 | Crystalline compound | 20080502 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.08987763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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