4-amino-5-methyl-1,2-dihydropyrimidin-2-one

• ChemBase ID: 293444
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: Cc1c[nH]c(=O)nc1N
• Canonical SMILES: Cc1c[nH]c(=O)nc1N
• InChI: InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
• InChIKey: LRSASMSXMSNRBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-5-methyl-1,2-dihydropyrimidin-2-one
• IUPAC Traditional name: 5 methylcytosine
• Synonyms: 5-Methylcytosine; 5-Methylcytosine; 4-AMino-5-MethylpyriMidin-2(1H)-one; 5-甲基胞嘧啶

Database IDs

• CAS Number: 58366-64-6; 554-01-8
• EC Number: 209-058-3
• MDL Number: MFCD00233537
• Merck Index: 146050
• PubChem SID: 180678975
• PubChem CID: 65040

CALCULATED PROPERTIES

• Acid pKa: 10.235635
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.84237736
• LogD (pH = 7.4): -0.84258157
• Log P: -0.8420156
• Molar Refractivity: 32.3056 cm^3
• Polarizability: 12.08672 Å^3
• Polar Surface Area: 67.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• RTECS: UW7362350
• TSCA Listed: 否

Product Information

• Purity: 97%; 98%