1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one

C12H17N3O3 — CID 72881953

IUPAC1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one
SMILESCOc1cc(OC)nc(CCN2CCCC2=O)n1
InChIInChI=1S/C12H17N3O3/c1-17-10-8-11(18-2)14-9(13-10)5-7-15-6-3-4-12(15)16/h8H,3-7H2,1-2H3
InChIKeyIFSLSQCWZAIJAQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.66
Rot. Bonds5

About 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one

1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 72881953) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one
PubChem CID72881953
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one
SMILESCOc1cc(OC)nc(CCN2CCCC2=O)n1
InChIInChI=1S/C12H17N3O3/c1-17-10-8-11(18-2)14-9(13-10)5-7-15-6-3-4-12(15)16/h8H,3-7H2,1-2H3
InChIKeyIFSLSQCWZAIJAQ-UHFFFAOYSA-N
XLogP0.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one (CID 72881953) is 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one is COc1cc(OC)nc(CCN2CCCC2=O)n1.
What is the InChIKey of 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is IFSLSQCWZAIJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-10-8-11(18-2)14-9(13-10)5-7-15-6-3-4-12(15)16/h8H,3-7H2,1-2H3.
What are the key properties of 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one?
1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 251.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethoxypyrimidin-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72881953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).