The 5-Methylcytosine belongs to the categories of Pyrimidines; Nucleic acids. Its cas registry number is 554-01-8. And its EINECS registry number is 209-058-3. This chemical is also called 4-Amino-5-methyl-3H-pyrimidin-2-one. Its systematic name is called 6-amino-5-methylpyrimidin-2(1H)-one. And its IUPAC name is known as 6-amino-5-methyl-1H-pyrimidin-2-one. This compound is a methylated nucleotide base found in eukaryotic dna. In animals, the dna methylation of cytosine to form 5-methylcytosine is found primarily in the palindromic sequence cpg. Iin plants, the methylated sequence is cpnpgp, where n can be any base.

Physical properties about this chemical are: (1)ACD/LogP: -1.70; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -1.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.59; (8)ACD/KOC (pH 7.4): 2.83; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.651; (13)Molar Refractivity: 31.72 cm³; (14)Molar Volume: 86.8 cm³; (15)Surface Tension: 55.8 dyne/cm; (16)Density: 1.44 g/cm³; (17)Flash Point: 206.2 °C; (18)Enthalpy of Vaporization: 69.67 kJ/mol; (19)Boiling Point: 417.3 °C at 760 mmHg; (20)Vapour Pressure: 1.48E-07 mmHg at 25°C.

Preparation of 5-Methylcytosine: this chemical can be prepared by 5-methyl-cytidine. In this process, it give 4-amino-5-hydroxymethyl-1H-pyrimidin-2-one and 5-hydroxymethyl-cytidine.

This reaction needs reagent Na₂S₂O₈, solvent water, sodium phosphate buffer pH 7.0. The reaction temperature is 75 ℃ and the reaction time is 4 hours.

Uses of 5-Methylcytosine: it can be used to prepare other chemicals. For example, it can used to produce 4-amino-5-hydroxy-5-methyl-2-oxo-2,5-dihydro-imidazole-1-carbaldehyde.

The reaction needs reagents O₃-O₂ mixture, solvent water and ambient temperature. The yield is 20%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C\C(=C(\N)N1)C;
(2)InChI: InChI=1/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9);
(3)InChIKey: LRSASMSXMSNRBT-UHFFFAOYAO