3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

C21H27N5O — CID 133460739

IUPAC3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCCc1cc(N2CCN(C3CCN(c4ccccc4)C3=O)CC2)nc(C)n1
InChIInChI=1S/C21H27N5O/c1-3-17-15-20(23-16(2)22-17)25-13-11-24(12-14-25)19-9-10-26(21(19)27)18-7-5-4-6-8-18/h4-8,15,19H,3,9-14H2,1-2H3
InChIKeyDIPSJHFRDKWUEM-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.27
Rot. Bonds4

About 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 133460739) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID133460739
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCCc1cc(N2CCN(C3CCN(c4ccccc4)C3=O)CC2)nc(C)n1
InChIInChI=1S/C21H27N5O/c1-3-17-15-20(23-16(2)22-17)25-13-11-24(12-14-25)19-9-10-26(21(19)27)18-7-5-4-6-8-18/h4-8,15,19H,3,9-14H2,1-2H3
InChIKeyDIPSJHFRDKWUEM-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 133460739) is 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is CCc1cc(N2CCN(C3CCN(c4ccccc4)C3=O)CC2)nc(C)n1.
What is the InChIKey of 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is DIPSJHFRDKWUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-3-17-15-20(23-16(2)22-17)25-13-11-24(12-14-25)19-9-10-26(21(19)27)18-7-5-4-6-8-18/h4-8,15,19H,3,9-14H2,1-2H3.
What are the key properties of 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 133460739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).