1-Methylcytosine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring,which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Pyrimidones

Organic compounds

Organoheterocyclic compounds

Diazines

Pyrimidines and pyrimidine derivatives

Calculated Property

kind Value Source
logP -1.4 ALOGPS
logS -0.63 ALOGPS
Water Solubility 2.91e+01 g/l ALOGPS
logP -1 ChemAxon
IUPAC Name 4-amino-1-methyl-1,2-dihydropyrimidin-2-one ChemAxon
Traditional IUPAC Name 1-methylcytosine ChemAxon
Molecular Weight 125.1286 ChemAxon
Monoisotopic Weight 125.058911861 ChemAxon
SMILES CN1C=CC(N)=NC1=O ChemAxon
Molecular Formula C5H7N3O ChemAxon
InChI InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9) ChemAxon
InChIKey InChIKey=HWPZZUQOWRWFDB-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 58.69 ChemAxon
Refractivity 32.85 ChemAxon
Polarizability 12.02 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 3.07 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Cap-specific mRNA (nucleoside-2′-O-)-methyltransferase : in VACV