5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one

C23H24N4O2 — CID 123721437

IUPAC5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1OC(=O)N(c2ccnc(NC(C)c3ccccc3)n2)C1c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-3-19-21(18-12-8-5-9-13-18)27(23(28)29-19)20-14-15-24-22(26-20)25-16(2)17-10-6-4-7-11-17/h4-16,19,21H,3H2,1-2H3,(H,24,25,26)
InChIKeyKMVWQEWPCOOTOT-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.13
Rot. Bonds6

About 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one

5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 123721437) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID123721437
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1OC(=O)N(c2ccnc(NC(C)c3ccccc3)n2)C1c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-3-19-21(18-12-8-5-9-13-18)27(23(28)29-19)20-14-15-24-22(26-20)25-16(2)17-10-6-4-7-11-17/h4-16,19,21H,3H2,1-2H3,(H,24,25,26)
InChIKeyKMVWQEWPCOOTOT-UHFFFAOYSA-N
XLogP5.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5R)-5-methyl-4-phenyl-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489715
4-ethynyl-5-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123322731
(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one
CID 89489740
(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
(4S)-3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89489727
3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 130285227
(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89490002
5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one
CID 90458172
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890774
3-[2-[[(1S)-1-(4-benzoylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479420
(4S)-3-[2-[[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730160

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 123721437) is 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one is CCC1OC(=O)N(c2ccnc(NC(C)c3ccccc3)n2)C1c1ccccc1.
What is the InChIKey of 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is KMVWQEWPCOOTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-3-19-21(18-12-8-5-9-13-18)27(23(28)29-19)20-14-15-24-22(26-20)25-16(2)17-10-6-4-7-11-17/h4-16,19,21H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one?
5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 388.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-phenyl-3-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123721437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).