AC1Ldwnn
Basic information
- CAS
1197-04-2- Standard SMILES
CC(C)c1nc(O)cc(=O)[nH]1- InChIKey
DOZKGELCYBIBBZ-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- AC1Ldwnn
- IUPAC
- 4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
- English name
- 6-HYDROXY-2-(1-METHYLETHYL)-4(3H)-PYRIMIDINONE
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
1197-04-2AC1LDWNNDTXSID60350295RefChem:313921DTXCID203013646-Hydroxy-2-isopropylpyrimidin-4(3H)-one4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one2-isopropylpyrimidine-4,6-diolMFCD110436026-HYDROXY-2-(1-METHYLETHYL)-4(3H)-PYRIMIDINONE4(3H)-Pyrimidinone, 6-hydroxy-2-(1-methylethyl)-6-hydroxy-2-(propan-2-yl)-3,4-dihydropyrimidin-4-one
Show more names
6-hydroxy-2-propan-2-yl-3H-pyrimidin-4-one
6-hydroxy-2-isopropyl-3H-pyrimidin-4-oneSCHEMBL1222042SCHEMBL24420565DOZKGELCYBIBBZ-UHFFFAOYSA-NALBB-0149114,6-dihydroxy-2-isopropylpyrimidine4,6-dihydroxy-2-isopropyl-pyrimidineAKOS005174611
Database identifiers
- CAS
1197-04-2- PubChem CID
- 676463
- DTXSID
DTXSID60350295
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 296 · 296-297 °C (decomp)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 6.14 · 6.14±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…