5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C15H21N5O3 — CID 52992090

IUPAC5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCN(C(=O)C3CCC(=O)N3)CC2)nc(C)n1
InChIInChI=1S/C15H21N5O3/c1-10-16-12(9-14(17-10)23-2)19-5-7-20(8-6-19)15(22)11-3-4-13(21)18-11/h9,11H,3-8H2,1-2H3,(H,18,21)
InChIKeyGNHVXRMGXYAYBK-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.28
Rot. Bonds3

About 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 52992090) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID52992090
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCN(C(=O)C3CCC(=O)N3)CC2)nc(C)n1
InChIInChI=1S/C15H21N5O3/c1-10-16-12(9-14(17-10)23-2)19-5-7-20(8-6-19)15(22)11-3-4-13(21)18-11/h9,11H,3-8H2,1-2H3,(H,18,21)
InChIKeyGNHVXRMGXYAYBK-UHFFFAOYSA-N
XLogP-0.28
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 52992090) is 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1cc(N2CCN(C(=O)C3CCC(=O)N3)CC2)nc(C)n1.
What is the InChIKey of 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GNHVXRMGXYAYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10-16-12(9-14(17-10)23-2)19-5-7-20(8-6-19)15(22)11-3-4-13(21)18-11/h9,11H,3-8H2,1-2H3,(H,18,21).
What are the key properties of 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 319.37 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 52992090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).