1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one

C11H15N3O2 — CID 1390588

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one
SMILESCCOc1cc(C)nc(N2CCCC2=O)n1
InChIInChI=1S/C11H15N3O2/c1-3-16-9-7-8(2)12-11(13-9)14-6-4-5-10(14)15/h7H,3-6H2,1-2H3
InChIKeyCXJPZTNNWTVKTK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.31
Rot. Bonds3

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one

1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one (PubChem CID 1390588) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one
PubChem CID1390588
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one
SMILESCCOc1cc(C)nc(N2CCCC2=O)n1
InChIInChI=1S/C11H15N3O2/c1-3-16-9-7-8(2)12-11(13-9)14-6-4-5-10(14)15/h7H,3-6H2,1-2H3
InChIKeyCXJPZTNNWTVKTK-UHFFFAOYSA-N
XLogP1.31
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
CID 911086
2,4-Diethoxy-6-methylpyrimidine
CID 260112
N,N-diethyl-4-methoxy-6-methylpyrimidin-2-amine
CID 13789821
N-[1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 53580426
2-[Cyclopropyl(methyl)amino]-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 53588424
1-[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 53609919
4-(4-Butoxy-6-methylpyrimidin-2-yl)morpholine
CID 1946957
4-[4-Methyl-6-(prop-2-EN-1-yloxy)pyrimidin-2-YL]morpholine
CID 6620727
2,4-Dimethyl-6-ethoxypyrimidine
CID 12318269
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
CID 54163373
2-(Dimethylamino)-6-methylpyrimidin-4-yl diethylcarbamate
CID 76327438
4-(4-Ethoxy-6-methylpyrimidin-2-yl)morpholine
CID 1832287

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one (CID 1390588) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one is CCOc1cc(C)nc(N2CCCC2=O)n1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
The InChIKey is CXJPZTNNWTVKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-16-9-7-8(2)12-11(13-9)14-6-4-5-10(14)15/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 1390588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).