Basic information
- CAS
156569-47-0- Standard SMILES
Cc1c(CCCO)[nH]c(=O)[nH]c1=O- InChIKey
OIEJBPVNLZZLGQ-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.08479225
Overview
6-(3-hydroxypropyl)thymine is a pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 3-hydroxypropyl group. It is a primary alcohol and a pyrimidone. It is functionally related to a thymine.
Names & identifiers
- Preferred name
- 6-(3-Hydroxypropyl)thymine
- IUPAC
- 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
Names & synonyms
6-hydroxypropylthymine6-(3-hydroxypropyl)thymine6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dioneE5AK9SKZ52CHEBI:43299RefChem:5392996-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 6-(3-hydroxypropyl)-5-methyl-156569-47-0SCHEMBL4315838DB04139PD006936
Show more names
NS00068868Q270949795-Methyl-6-(3-oxidanylpropyl)-1H-pyrimidine-2,4-dione6-(3-Hydroxypropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
156569-47-0- PubChem CID
- 1865
- ChEBI
CHEBI:43299- UNII
- E5AK9SKZ52
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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