Basic information
- CAS
25902-89-0- Standard SMILES
COc1[nH]c(=O)ncc1C- InChIKey
NWUTZAVMDAGNIG-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Overview
O(4)-methylthymine is a methylthymine in which the methyl group is located at the O4-position. It has a role as a human metabolite. It is a methylthymine and an aromatic ether.
Names & identifiers
- Preferred name
- 6-Methoxy-5-methyl-2(1H)-pyrimidinone
- IUPAC
- 6-methoxy-5-methyl-1H-pyrimidin-2-one
- English name
- 2(1H)-Pyrimidinone, 4-methoxy-5-methyl- (8CI,9CI)
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
O-4-Methylthymine25902-89-02(1H)-Pyrimidinone, 4-methoxy-5-methyl-DTXSID30180566RefChem:914019DTXCID701030576-Methoxy-5-methyl-2(1H)-pyrimidinone6-methoxy-5-methyl-1H-pyrimidin-2-one4-methoxy-5-methylpyrimidin-2(1H)-one6-Methoxy-5-methylpyrimidin-2(1H)-oneO(4)-methylthymine4-methoxy-5-methyl-2(1H)-pyrimidinone
Show more names
(1H)-Pyrimidinone, 6-methoxy-5-methyl-2(1H)-Pyrimidinone, 6-methoxy-5-methyl-
SCHEMBL230411SCHEMBL2614944SCHEMBL88835022(1H)-Pyrimidinone, 4-methoxy-5-methyl- (8CI,9CI)SCHEMBL29795706CHEBI:134100NWUTZAVMDAGNIG-UHFFFAOYSA-N4-methoxy-5-methylpyrimidin-2-one
Database identifiers
- CAS
25902-89-0- PubChem CID
- 65353
- DTXSID
DTXSID30180566- ChEBI
CHEBI:134100- Nikkaji
- J500.516G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 182 · 182-183 °C(Solv: methanol (67-56-1))
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 7.79 · 7.79±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
CHEMSTEP[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Additional notes
DefinitionChEBI: O(4)-methylthymine is a methylthymine in which the methyl group is located at the O4-position. It has a role as a human metabolite. It is an aromatic ether and a methylthymine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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