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1-Methyluracil

CAT: 0572-TRC-M338150-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338150-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
615-77-0
Hazard Statement
Suspected of causing cancer
Smiles
CN1C=CC(=O)NC1=O
Molecular Formula
C5 H6 N2 O2
Molecular Weight
126.11
InChI
InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
Additionnal Information
IUPAC name: 1-methylpyrimidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Methyluracil

1-methyluracil is a pyrimidone that is uracil with a methyl group substituent at position 1. It has a role as a metabolite. It is a pyrimidone and a nucleobase analogue. It is functionally related to a uracil.

CAS Number615-77-0
PubChem CID12009
IUPAC Name1-methylpyrimidine-2,4-dione
Molecular FormulaC5H6N2O2
Molecular Weight126.11
XLogP-1.2
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity185
SMILES
CN1C=CC(=O)NC1=O
InChI
InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
InChIKey
XBCXJKGHPABGSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyluracil
CAS: 615-77-0
CID: 12009
Formula: C5H6N2O2
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP3-1.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass126.042927438
Monoisotopic Mass126.042927438
Topological Polar Surface Area49.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity185
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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