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

• ChemBase ID: 250463
• Molecular Formular: C10H12N4O2S
• Molecular Mass: 252.29288
• Monoisotopic Mass: 252.06809664
• SMILES: c1(c(n(c(=O)[nH]c1=O)CC)N)c1nc(sc1)C
• Canonical SMILES: CCn1c(=O)[nH]c(=O)c(c1N)c1csc(n1)C
• InChI: InChI=1S/C10H12N4O2S/c1-3-14-8(11)7(9(15)13-10(14)16)6-4-17-5(2)12-6/h4H,3,11H2,1-2H3,(H,13,15,16)
• InChIKey: WDMDTVYHJLCXDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07348562
• PubChem SID: 164306373
• PubChem CID: 7131123

CALCULATED PROPERTIES

• Acid pKa: 9.777933
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.059493538
• LogD (pH = 7.4): 0.057991326
• Log P: 0.059789307
• Molar Refractivity: 72.2798 cm^3
• Polarizability: 23.690437 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): 0.636

Product Information

• Purity: 95%