8-methyl-2H,3H,4H-pyrido[1,2-a]pyrimidin-3-ol hydrochloride

• ChemBase ID: 183081
• Molecular Formular: C9H13ClN2O
• Molecular Mass: 200.66532
• Monoisotopic Mass: 200.07164073
• SMILES: c12=NCC(Cn1ccc(c2)C)O.Cl
• Canonical SMILES: OC1CN=c2n(C1)ccc(c2)C.Cl
• InChI: InChI=1S/C9H12N2O.ClH/c1-7-2-3-11-6-8(12)5-10-9(11)4-7;/h2-4,8,12H,5-6H2,1H3;1H
• InChIKey: WTPQZCOENRCBAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2H,3H,4H-pyrido[1,2-a]pyrimidin-3-ol hydrochloride
• IUPAC Traditional name: 8-methyl-2H,3H,4H-pyrido[1,2-a]pyrimidin-3-ol hydrochloride

Database IDs

• PubChem SID: 164238991
• PubChem CID: 2839216

CALCULATED PROPERTIES

• Acid pKa: 14.21129
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3742726
• LogD (pH = 7.4): -1.1250362
• Log P: -0.074323066
• Molar Refractivity: 48.5693 cm^3
• Polarizability: 17.848812 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds