3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Basic information
- CAS
175203-47-1- Standard SMILES
CC(C)n1cc(C#N)c(=O)n(Cc2ccccc2)c1=O- InChIKey
CGYSBPLTCJYBOI-UHFFFAOYSA-N- Molecular formula
- C15H15N3O2
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.11642673
Names & identifiers
- Preferred name
- 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
- IUPAC
- 3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonitrile
- English name
- 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
- Molecular formula
- C15H15N3O2
- Molecular weight
- 269.3
Names & synonyms
175203-47-13-benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonitrileMFCD002039833-benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrileMaybridge1_004999Oprea1_339644SCHEMBL29142974HMS555L05DTXSID60381302CCG-56420AKOS015908717
Show more names
3-BENZYL-5-CYANO-1-ISOPROPYLURACIL2,4-dioxo-3-(phenylmethyl)-1-propan-2-yl-5-pyrimidinecarbonitrile5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-1-(1-methylethyl)-2,4-dioxo-3-(phenylmethyl)-
AS-9159SB602395-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-1-(1-methylethyl)-2,4-dioxo-3-(phenylmethyl)-KM 07738DB-044100CS-0324164SR-01000645377-13-benzyl-1-isopropyl-2,4-dioxo-pyrimidine-5-carbonitrile
Database identifiers
- CAS
175203-47-1- PubChem CID
- 2779166
- DTXSID
DTXSID60381302
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 399.1 · 399.1±52.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- -4.11 · -4.11±0.40(Predicted)
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
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Related reactions
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Compound notes
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