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5-Methylcytosine

CAT: 0931-T5270-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T5270-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
554-01-8
Target
DNA/RNA Synthesis, Endogenous Metabolite
Related Pathways
Metabolism, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Purity
0.9953
Bioactivity
5-Methylcytosine is a methylated nucleotide base found in eukaryotic DNA. It is an epigenetic modification formed by the action of DNA methyltransferases.
Smiles
Cc1c[nH]c(=O)nc1N
Molecular Formula
C5H7N3O
Molecular Weight
125.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Methylcytosine

5-methylcytosine is a pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. It has a role as a human metabolite. It is a methylcytosine and a member of pyrimidines. It is functionally related to a cytosine.

CAS Number554-01-8
PubChem CID65040
IUPAC Name6-amino-5-methyl-1H-pyrimidin-2-one
Molecular FormulaC5H7N3O
Molecular Weight125.13
XLogP-0.8
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity204
SMILES
CC1=C(NC(=O)N=C1)N
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
Chemical Structure
2D Structure
2D structure of 5-Methylcytosine
CAS: 554-01-8
CID: 65040
Formula: C5H7N3O
MW: 125.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.13
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass125.058911855
Monoisotopic Mass125.058911855
Topological Polar Surface Area67.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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