6-amino-1-methyl-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 234378
• Molecular Formular: C10H16N4O2
• Molecular Mass: 224.25964
• Monoisotopic Mass: 224.12732577
• SMILES: c1(n(c(=O)[nH]c(=O)c1N1CCCCC1)C)N
• Canonical SMILES: Nc1c(N2CCCCC2)c(=O)[nH]c(=O)n1C
• InChI: InChI=1S/C10H16N4O2/c1-13-8(11)7(9(15)12-10(13)16)14-5-3-2-4-6-14/h2-6,11H2,1H3,(H,12,15,16)
• InChIKey: ABFVQIXFKQQEOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06356483
• PubChem SID: 164290288
• PubChem CID: 2497562

CALCULATED PROPERTIES

• Acid pKa: 9.43107
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.38299328
• LogD (pH = 7.4): -0.35523224
• Log P: -0.35082507
• Molar Refractivity: 69.6382 cm^3
• Polarizability: 22.208645 Å^3
• Polar Surface Area: 78.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.232

Product Information

• Purity: 95%