5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
53761-38-9- Standard SMILES
O=c1[nH]cc(CCCO)c(=O)[nH]1- InChIKey
SQMSSZQFSKGEMH-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914219
Names & identifiers
- Preferred name
- 5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 5-(3-hydroxypropyl)-1H-pyrimidine-2,4-dione
- English name
- 5-(3-Hydroxypropyl)-2,4(1H,3H)-pyriMidinedione
- Molecular formula
- C7H10N2O3
- Molecular weight
- 170.17
Names & synonyms
53761-38-95-(3-hydroxypropyl)-1H-pyrimidine-2,4-dione5-(3-Hydroxypropyl)uracil5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione5-(3-Hydroxypropyl)-2,4(1H,3H)-pyrimidinedioneMFCD20728207NSC179618orb1908130SCHEMBL23610067DTXSID60306737AKOS027339936NSC-179618
Show more names
5-(3-Hydroxypropyl)uracil,5-(3-Hydroxypropyl)-2,4(1H,3H)-pyrimidinedione
SB56981AS-47241SY260252DB-129121F12819F5275272,4(1H,3H)-Pyrimidinedione, 5-(3-hydroxypropyl)-5-(3-hydroxypropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Database identifiers
- CAS
53761-38-9- PubChem CID
- 301600
- DTXSID
DTXSID60306737
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- pka
- 9.05 · 9.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…