5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C23H24N4O2 — CID 130285962

IUPAC5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2CC(C)(C)OC2=O)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(17-9-11-19(12-10-17)18-7-5-4-6-8-18)25-21-24-14-13-20(26-21)27-15-23(2,3)29-22(27)28/h4-14,16H,15H2,1-3H3,(H,24,25,26)
InChIKeyJVAXXWRZVHACJB-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.05
Rot. Bonds5

About 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 130285962) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID130285962
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2CC(C)(C)OC2=O)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24N4O2/c1-16(17-9-11-19(12-10-17)18-7-5-4-6-8-18)25-21-24-14-13-20(26-21)27-15-23(2,3)29-22(27)28/h4-14,16H,15H2,1-3H3,(H,24,25,26)
InChIKeyJVAXXWRZVHACJB-UHFFFAOYSA-N
XLogP5.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 130285226
(4S)-5,5-dimethyl-4-phenyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490003
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433
5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one
CID 90458172
1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 130284604
3-[2-[[(1S)-1-(4-tert-butylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285288
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130273094
3-[2-[[(1S)-1-(4-benzoylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479420
(4S,5R)-5-methyl-4-phenyl-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489715
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 130285962) is 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2CC(C)(C)OC2=O)n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is JVAXXWRZVHACJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(17-9-11-19(12-10-17)18-7-5-4-6-8-18)25-21-24-14-13-20(26-21)27-15-23(2,3)29-22(27)28/h4-14,16H,15H2,1-3H3,(H,24,25,26).
What are the key properties of 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 388.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130285962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).