1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one

C11H13N3O3 — CID 135210791

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1c1nc(OC)cc(OC)n1
InChIInChI=1S/C11H13N3O3/c1-7-4-5-10(15)14(7)11-12-8(16-2)6-9(13-11)17-3/h6H,1,4-5H2,2-3H3
InChIKeyOFOIWHWJPFCQEF-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.13
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one

1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one (PubChem CID 135210791) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one
PubChem CID135210791
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1c1nc(OC)cc(OC)n1
InChIInChI=1S/C11H13N3O3/c1-7-4-5-10(15)14(7)11-12-8(16-2)6-9(13-11)17-3/h6H,1,4-5H2,2-3H3
InChIKeyOFOIWHWJPFCQEF-UHFFFAOYSA-N
XLogP1.13
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-Dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione
CID 90342170
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
3-(4,6-Dimethoxypyrimidin-2-yl)propanamide
CID 17984094
1-(4-Methoxy-6-methylpyrimidin-2-yl)pyrrolidine-2,5-dione
CID 135210799
1-(4,6-Dimethoxypyrimidin-2-yl)-5-hydroxypyrrolidin-2-one
CID 160362523
1-[2-(4,6-Dimethoxypyrimidin-2-YL)ethyl]pyrrolidin-2-one
CID 72881953
1-(4,6-Dimethoxypyrimidin-2-yl)-3-methylpyrrole-2,5-dione
CID 113982641
1-(2,6-Dimethoxypyrimidin-4-yl)pyrrolidin-2-one
CID 125478211
1-(4,6-Dimethoxypyrimidin-2-yl)pyrrolidine-2,4-dione
CID 168493434
4-Bromo-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168496466
1-(4,6-Dimethoxypyrimidin-2-yl)-4-ethynylpyrrolidin-2-one
CID 168500933
4-(Bromomethyl)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168504255

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one (CID 135210791) is 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one is C=C1CCC(=O)N1c1nc(OC)cc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one?
The InChIKey is OFOIWHWJPFCQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-4-5-10(15)14(7)11-12-8(16-2)6-9(13-11)17-3/h6H,1,4-5H2,2-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one?
1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one has a molecular weight of 235.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 135210791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).