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1-Methylcytosine

CAT: 0013-GTR19216998-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216998-01Size:100 mg
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Description
1-Methylcytosine is a methylated form of the cytosine and can be used as the nucleobase of hachimoji DNA paired with isoguanine.
CAS Number
1122-47-0
Product Name Alternative
4-amino-1-methylpyrimidin-2 (1H) -one | 1-methylcytosin | N-Methylcytosine
Purity
>98% (HPLC)
Smiles
Cn1ccc (N) nc1=O
Molecular Formula
C5H7N3O
Molecular Weight
125.131
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1-Methylcytosine

1-methylcytosine is a pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group. It has a role as a metabolite. It is a methylcytosine, a pyrimidone and an aminopyrimidine. It is functionally related to a cytosine.

CAS Number1122-47-0
PubChem CID79143
IUPAC Name4-amino-1-methylpyrimidin-2-one
Molecular FormulaC5H7N3O
Molecular Weight125.13
XLogP-1.1
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity194
SMILES
CN1C=CC(=NC1=O)N
InChI
InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)
InChIKey
HWPZZUQOWRWFDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methylcytosine
CAS: 1122-47-0
CID: 79143
Formula: C5H7N3O
MW: 125.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.13
XLogP3-1.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass125.058911855
Monoisotopic Mass125.058911855
Topological Polar Surface Area58.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity194
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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