(3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione

C18H19N3O2 — CID 970048

IUPAC(3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)nc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)n1
InChIInChI=1S/C18H19N3O2/c1-11-9-12(2)20-18(19-11)21-16(22)10-15(17(21)23)13(3)14-7-5-4-6-8-14/h4-9,13,15H,10H2,1-3H3/t13-,15-/m0/s1
InChIKeyWOMLMEZVSNBKCU-ZFWWWQNUSA-N
MW309.37 g/mol
LogP2.78
Rot. Bonds3

About (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione

(3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione (PubChem CID 970048) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
PubChem CID970048
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)nc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)n1
InChIInChI=1S/C18H19N3O2/c1-11-9-12(2)20-18(19-11)21-16(22)10-15(17(21)23)13(3)14-7-5-4-6-8-14/h4-9,13,15H,10H2,1-3H3/t13-,15-/m0/s1
InChIKeyWOMLMEZVSNBKCU-ZFWWWQNUSA-N
XLogP2.78
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione (CID 970048) is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione is Cc1cc(C)nc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)n1.
What is the InChIKey of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
The InChIKey is WOMLMEZVSNBKCU-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-9-12(2)20-18(19-11)21-16(22)10-15(17(21)23)13(3)14-7-5-4-6-8-14/h4-9,13,15H,10H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione?
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione has a molecular weight of 309.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 970048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).