6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione
Basic information
- CAS
10129-99-4- Standard SMILES
O=c1[nH]c(=O)c2nc(CO)cnc2[nH]1- InChIKey
SQXCACKAQINDFU-UHFFFAOYSA-N- Molecular formula
- C7H6N4O3
- Average molar mass
- 194.15 g/mol
- Monoisotopic mass
- 194.04399007
Overview
6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione is a member of pteridines.
Names & identifiers
- Preferred name
- 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione
- IUPAC
- 6-(hydroxymethyl)-1H-pteridine-2,4-dione
Names & synonyms
6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione6-Hydroxymethyllumazine, 8CI6-(hydroxymethyl)-2,3,4,8-tetrahydropteridine-2,4-dione10129-99-4RefChem:1040916-(hydroxymethyl)-1H-pteridine-2,4-dioneSCHEMBL28000996CHEBI:169125DTXSID4012600776-(Hydroxymethyl)pteridine-2,4(3H,8H)-dione
Database identifiers
- CAS
10129-99-4- PubChem CID
- 6325373
- DTXSID
DTXSID401260077- ChEBI
CHEBI:169125- Nikkaji
- J2.372.987C
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
Melting Point260 - 262 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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