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5-Formylcytosine

CAT: 0572-TRC-F698975-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F698975-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4425-59-6
Synonyms
4-Amino-1,2-dihydro-2-oxo-5-pyrimidinecarboxaldehyde; 4-Amino-2-hydroxy-5-pyrimidinecarboxaldehyde; 6-Amino-1,2-dihydro-2-oxo-5-pyrimidinecarboxaldehyde; 4-Amino-5-formyl-2(1H)-pyrimidinone; 5-Formyl-6-amino-2,3-dihydro-2-oxopyrimidine
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
NC1=C(C=O)C=NC(N1)=O
Molecular Formula
C5H5N3O2
Molecular Weight
139.11
InChI
InChI=1S/C5H5N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1-2H,(H3,6,7,8,10)
Additionnal Information
IUPAC name: 6-amino-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Formylcytosine

5-formylcytosine is a nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a formyl group. It has a role as a metabolite. It is a pyrimidone, an aminopyrimidine, a heteroarenecarbaldehyde and a nucleobase analogue. It is functionally related to a cytosine.

CAS Number4425-59-6
PubChem CID10986305
IUPAC Name6-amino-2-oxo-1H-pyrimidine-5-carbaldehyde
Molecular FormulaC5H5N3O2
Molecular Weight139.11
XLogP-1
Topological Polar Surface Area84.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity241
SMILES
C1=NC(=O)NC(=C1C=O)N
InChI
InChI=1S/C5H5N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1-2H,(H3,6,7,8,10)
InChIKey
FHSISDGOVSHJRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Formylcytosine
CAS: 4425-59-6
CID: 10986305
Formula: C5H5N3O2
MW: 139.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.11
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass139.038176411
Monoisotopic Mass139.038176411
Topological Polar Surface Area84.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity241
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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