chempirical

Thymine

C5H6N2O2CAS 65-71-4126.11 g/mol

Open in Covalent MOL file
NOHNHO
Phenol

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
Melting point
316 °C
logP
0.20Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
65-71-4
SMILES
Cc1cnc(O)nc1O
InChIKey
RWQNBRDOKXIBIV-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 2,4(1H,3H)-Pyrimidinedione, 5-methyl-
  • 5-Methyl-2,4(1H,3H)-pyrimidinedione
  • 2,4-Dihydroxy-5-methylpyrimidine
  • 5-Methyluracil
  • 5-Methyl-2,4-dihydroxypyrimidine
  • 5-Methylpyrimidine-2,4-dione
  • 5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • NSC 14705
  • NSC 168663
  • 4-Hydroxy-5-methylpyrimidin-2(1H)-one
  • 2-Hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
  • 2-Hydroxy-5-methyl-1,4-dihydropyrimidin-4-one

Work with Thymine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Thiothymine636-26-059 % similar 5-Iodouracil696-07-157 % similar 5-Hydroxy-2,4(1H,3H)-pyrimidinedione20636-41-356 % similar 5-Chlorouracil1820-81-152 % similar 5-Bromouracil51-20-752 % similar 5-Fluorouracil51-21-852 % similar 5-Aminouracil932-52-552 % similar 5-Ethyl-2,4(1H,3H)-pyrimidinedione4212-49-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9 2-Methyl-4,6-pyrimidinedione40497-30-1 1,2-Dihydro-1-methyl-3,6-pyridazinedione5436-01-1 1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-7 1-Methyluracil615-77-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia