1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one

C11H15N3O2 — CID 123670368

IUPAC1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one
SMILESCc1ccnc(OCCN2CCCC2=O)n1
InChIInChI=1S/C11H15N3O2/c1-9-4-5-12-11(13-9)16-8-7-14-6-2-3-10(14)15/h4-5H,2-3,6-8H2,1H3
InChIKeyKHITZLRMRKBVGV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.79
Rot. Bonds4

About 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one

1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 123670368) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one
PubChem CID123670368
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one
SMILESCc1ccnc(OCCN2CCCC2=O)n1
InChIInChI=1S/C11H15N3O2/c1-9-4-5-12-11(13-9)16-8-7-14-6-2-3-10(14)15/h4-5H,2-3,6-8H2,1H3
InChIKeyKHITZLRMRKBVGV-UHFFFAOYSA-N
XLogP0.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one (CID 123670368) is 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one is Cc1ccnc(OCCN2CCCC2=O)n1.
What is the InChIKey of 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is KHITZLRMRKBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9-4-5-12-11(13-9)16-8-7-14-6-2-3-10(14)15/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one?
1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpyrimidin-2-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123670368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).