5-Phenylamino-1H-pyrimidine-2,4-dione
Basic information
- CAS
4870-31-9- Standard SMILES
O=c1[nH]cc(Nc2ccccc2)c(=O)[nH]1- InChIKey
JGUKCLIEQQTBFX-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947654
Names & identifiers
- Preferred name
- 5-Phenylamino-1H-pyrimidine-2,4-dione
- IUPAC
- 5-anilino-1H-pyrimidine-2,4-dione
- English name
- 5-Anilinopyrimidine-2,4(1H,3H)-dione
- Molecular formula
- C10H9N3O2
- Molecular weight
- 203.2
Names & synonyms
4870-31-95-Phenylamino-1H-pyrimidine-2,4-dioneDTXSID80309629RefChem:304678DTXCID702607555-anilinopyrimidine-2,4(1H,3H)-dione5-anilino-1H-pyrimidine-2,4-dione5-(phenylamino)pyrimidine-2,4(1H,3H)-dione5-(phenylamino)uracil5-(phenylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dioneNSC2124132-hydroxy-5-(phenylamino)pyrimidin-4(3H)-one
Show more names
2,4(1H,3H)-Pyrimidinedione, 5-(phenylamino)-
Oprea1_549749Oprea1_595131SCHEMBL3765041CHEMBL3438481SCHEMBL23330860JGUKCLIEQQTBFX-UHFFFAOYSA-N5-(phenylamino)pyrimidine-2,4-diolSTK611900
Database identifiers
- CAS
4870-31-9- PubChem CID
- 309952
- DTXSID
DTXSID80309629- ChEMBL
CHEMBL3438481
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 317 · 317-319 °C
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- pka
- 8.58 · 8.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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