1-Methyltetrahydropyrimidin-2(1H)-one - CAS 10166-54-8
Catalog: |
BB000588 |
Product Name: |
1-Methyltetrahydropyrimidin-2(1H)-one |
CAS: |
10166-54-8 |
Synonyms: |
1-methyl-1,3-diazinan-2-one; 1-methyl-1,3-diazinan-2-one |
IUPAC Name: | 1-methyl-1,3-diazinan-2-one |
Description: | 1-Methyltetrahydropyrimidin-2(1H)-one (CAS# 10166-54-8) is a thiourea derivative used as nducers of murine erythroleukemia differentiation. |
Molecular Weight: | 114.15 |
Molecular Formula: | C5H10N2O |
Canonical SMILES: | CN1CCCNC1=O |
InChI: | InChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8) |
InChI Key: | COYPZADTXISTSJ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00196814 |
LogP: | 0.29820 |
Publication Number | Title | Priority Date |
CN-112047870-A | Preparation method of 7-alkyl indole derivative | 20201012 |
CN-112047870-B | Preparation method of 7-alkyl indole derivative | 20201012 |
CN-112029109-A | Metal organic framework material with copper-pyrazine ligand regulating pore size, preparation method thereof and application of metal organic framework material in methane purification | 20200911 |
WO-2021105115-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 20191128 |
WO-2021078563-A1 | Process for the production of cyclic guanidine derivates | 20191022 |
PMID | Publication Date | Title | Journal |
22590350 | 20120501 | 1-Methyl-1,3-diazinan-2-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.079312947 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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