6-amino-1,3-dimethyl-5-(piperazin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride

• ChemBase ID: 250474
• Molecular Formular: C10H18ClN5O2
• Molecular Mass: 275.73522
• Monoisotopic Mass: 275.11490252
• SMILES: n1(c(c(c(=O)n(c1=O)C)N1CCNCC1)N)C.Cl
• Canonical SMILES: Nc1c(N2CCNCC2)c(=O)n(c(=O)n1C)C.Cl
• InChI: InChI=1S/C10H17N5O2.ClH/c1-13-8(11)7(9(16)14(2)10(13)17)15-5-3-12-4-6-15;/h12H,3-6,11H2,1-2H3;1H
• InChIKey: AOWSDZNIMHMSCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-1,3-dimethyl-5-(piperazin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
• IUPAC Traditional name: 6-amino-1,3-dimethyl-5-(piperazin-1-yl)pyrimidine-2,4-dione hydrochloride
• Synonyms: 6-amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4(1H,3H)-dione hydrochloride

Database IDs

• MDL Number: MFCD08447208
• PubChem SID: 164306384
• PubChem CID: 45286046

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.538852
• LogD (pH = 7.4): -3.047761
• Log P: -1.5134435
• Molar Refractivity: 73.1483 cm^3
• Polarizability: 23.737772 Å^3
• Polar Surface Area: 81.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Hydrophobicity(logP): -1.649

Product Information

• Purity: 95%
• Salt Data: HCl