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1- (2-hydroxyethyl) thymine

CAT: 0013-GTR19178825-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19178825-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This small molecule, 1- (2-hydroxyethyl) thymine, is a natural product isolated from marine Zoanthus species. It serves as a research tool for studying nucleobase analogs and their potential biological activities in biochemical and pharmacological in vitro assays.
CAS Number
22441-51-6
Product Name Alternative
2,4 (1H,3H) -Pyrimidinedione, 1- (2-hydroxyethyl) -5-methyl-, 1- (2-hydroxyethyl) thymine, 1- (hydroxyethyl) thymine
Purity
97.03% (May vary between batches)
Solubility
DMSO:55 mg/mL (323.21 mM)
Smiles
C (CO) N1C (=O) NC (=O) C (C) =C1
Molecular Formula
C7H10N2O3
Molecular Weight
170.17
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

1-(2-Hydroxyethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS Number22441-51-6
PubChem CID566009
IUPAC Name1-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione
Molecular FormulaC7H10N2O3
Molecular Weight170.17
XLogP-1.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity247
SMILES
CC1=CN(C(=O)NC1=O)CCO
InChI
InChI=1S/C7H10N2O3/c1-5-4-9(2-3-10)7(12)8-6(5)11/h4,10H,2-3H2,1H3,(H,8,11,12)
InChIKey
SHHSQYIHGYWCGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Hydroxyethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS: 22441-51-6
CID: 566009
Formula: C7H10N2O3
MW: 170.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.17
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass170.06914219
Monoisotopic Mass170.06914219
Topological Polar Surface Area69.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity247
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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