6-Amino-2,4(3H,5H)-pyrimidinedione
Basic information
- CAS
14436-34-1- Standard SMILES
NC1=NC(=O)NC(=O)C1- InChIKey
BLOCGUWRFAOSFW-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.03817641
Names & identifiers
- Preferred name
- 6-Amino-2,4(3H,5H)-pyrimidinedione
- IUPAC
- 6-amino-5H-pyrimidine-2,4-dione
- English name
- 2,4(3H,5H)-Pyrimidinedione, 6-amino- (9CI)
- Molecular formula
- C4H5N3O2
- Molecular weight
- 127.1
Names & synonyms
DTXSID90162686RefChem:1073774DTXCID4085177Hydrouracil, 6-imino-(6CI,7CI,8CI)14436-34-16-Amino-2,4(3H,5H)-pyrimidinedione6-amino-5H-pyrimidine-2,4-dione2,4(3H,5H)-Pyrimidinedione, 6-amino-(9CI)Hydrouracil, 6-imino- (6CI,7CI,8CI)2,4(3H,5H)-Pyrimidinedione, 6-amino- (9CI)6-iminopyrimidinedioneSCHEMBL3325448
Show more names
USAF KF-124-Iminobarbituric acid2,4-Pyrimidinediol, 6-amino-2,4-Dihydroxy-6-aminopyrimidinePyrimidine, 2,4-dihydroxy-6-amino6-Aminopyrimidine-2,4(3h,5h)-dione2,4(3H,5H)-Pyrimidinedione, 6-amino-
BLOCGUWRFAOSFW-UHFFFAOYSA-NAKOS006352220DB-063537
Database identifiers
- CAS
14436-34-1- PubChem CID
- 84436
- DTXSID
DTXSID90162686- Nikkaji
- J51.386E
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Density
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.40(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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Related reactions
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Compound notes
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