9-Hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one - CAS 181525-38-2
Catalog: |
BB043188 |
Product Name: |
9-Hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
CAS: |
181525-38-2 |
Synonyms: |
Paliperidone Impurity 04; SCHEMBL900661; 3-(2-Hydroxyethyl)-9-hydroxy-2-Methyl-4H-pyrido[1,2-a]pyriMidin-4-one |
IUPAC Name: | 9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one |
Description: | 9-Hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS# 181525-38-2 ) is a useful research chemical. |
Molecular Weight: | 220.22 |
Molecular Formula: | C11H12N2O3 |
Canonical SMILES: | CC1=C(C(=O)N2C=CC=C(C2=N1)O)CCO |
InChI: | InChI=1S/C11H12N2O3/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7/h2-3,5,14-15H,4,6H2,1H3 |
InChI Key: | GNJWAVGJDQQQSS-UHFFFAOYSA-N |
Complexity: | 458 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.08479225 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 73.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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