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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Related Compounds

3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133296932
3-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133401831
4-benzyl-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463
(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 124505781
3-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120751907
3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133410279
7-methyl-2-[[4-(2-oxo-1-phenylpyrrolidin-3-yl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 102557038
3-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 86959123
3-[4-(2-tert-butyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155974370
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141
3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119783870
3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133464768

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).