6-amino-5-[(2-methoxyethyl)amino]-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 233791
• Molecular Formular: C10H18N4O3
• Molecular Mass: 242.27492
• Monoisotopic Mass: 242.13789046
• SMILES: n1(c(c(c(=O)[nH]c1=O)NCCOC)N)CCC
• Canonical SMILES: CCCn1c(=O)[nH]c(=O)c(c1N)NCCOC
• InChI: InChI=1S/C10H18N4O3/c1-3-5-14-8(11)7(12-4-6-17-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16)
• InChIKey: FNKOPJKYVHMAFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-5-[(2-methoxyethyl)amino]-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-amino-5-[(2-methoxyethyl)amino]-1-propyl-3H-pyrimidine-2,4-dione
• Synonyms: 6-amino-5-[(2-methoxyethyl)amino]-1-propylpyrimidine-2,4(1H,3H)-dione

Database IDs

• MDL Number: MFCD05262959
• PubChem SID: 164289701
• PubChem CID: 2113051

CALCULATED PROPERTIES

• Acid pKa: 9.731782
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.75248295
• LogD (pH = 7.4): -0.7538868
• Log P: -0.7518843
• Molar Refractivity: 72.5176 cm^3
• Polarizability: 23.66009 Å^3
• Polar Surface Area: 96.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193 - 195°C
• Hydrophobicity(logP): -0.493

Product Information

• Purity: 95%