5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one

C18H22N4O — CID 90458172

IUPAC5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)CCC2(C)C)n1)c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13(14-7-5-4-6-8-14)20-17-19-12-10-15(21-17)22-16(23)9-11-18(22,2)3/h4-8,10,12-13H,9,11H2,1-3H3,(H,19,20,21)
InChIKeyMAOPBAJSPBYMRL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.56
Rot. Bonds4

About 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one

5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 90458172) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID90458172
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)CCC2(C)C)n1)c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13(14-7-5-4-6-8-14)20-17-19-12-10-15(21-17)22-16(23)9-11-18(22,2)3/h4-8,10,12-13H,9,11H2,1-3H3,(H,19,20,21)
InChIKeyMAOPBAJSPBYMRL-UHFFFAOYSA-N
XLogP3.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one (CID 90458172) is 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one is CC(Nc1nccc(N2C(=O)CCC2(C)C)n1)c1ccccc1.
What is the InChIKey of 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is MAOPBAJSPBYMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13(14-7-5-4-6-8-14)20-17-19-12-10-15(21-17)22-16(23)9-11-18(22,2)3/h4-8,10,12-13H,9,11H2,1-3H3,(H,19,20,21).
What are the key properties of 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one?
5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 90458172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).