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Substance Name: 5-Methylcytosine
RN: 554-01-8
UNII: 6R795CQT4H
InChIKey: LRSASMSXMSNRBT-UHFFFAOYSA-N

Note

  • 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. In PLANTS, the methylated sequence is CpNpGp, where N can be any base.

Molecular Formula

  • C5-H7-N3-O

Molecular Weight

  • 125.1303
 
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Names and Synonyms

Name of Substance

  • 5-Methylcytosine

MeSH Heading

  • 5-Methylcytosine

Synonyms

  • 5-Methylcytosine
  • 5-Methylcytosine (VAN)
  • EINECS 209-058-3
  • NSC 137776
  • UNII-6R795CQT4H

Systematic Names

  • 2(1H)-Pyrimidinone, 4-amino-5-methyl- (9CI)
  • 5-Methylcytosine
  • Cytosine, 5-methyl- (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 554-01-8

FDA UNII

  • 6R795CQT4H

Related Registry Number

  • 58366-64-6 (mono-hydrochloride)

System Generated Number

  • 0000554018

Structure Descriptors

InChI

1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)

InChIKey

LRSASMSXMSNRBT-UHFFFAOYSA-N

Smiles

c1(c(nc(=O)[nH]c1)N)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 270 dec deg C   EXP
log P (octanol-water) -0.920 (none)   EST
Water Solubility 3.45E+04 mg/L   EXP
Atmospheric OH Rate Constant 7.43E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.