1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

C11H15N3O — CID 73439401

IUPAC1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nccc(C)n1
InChIInChI=1S/C11H15N3O/c1-8-5-6-12-11(13-8)10-4-3-7-14(10)9(2)15/h5-6,10H,3-4,7H2,1-2H3
InChIKeyCBIKVSLUDAZBNL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.47
Rot. Bonds1

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

1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 73439401) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID73439401
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nccc(C)n1
InChIInChI=1S/C11H15N3O/c1-8-5-6-12-11(13-8)10-4-3-7-14(10)9(2)15/h5-6,10H,3-4,7H2,1-2H3
InChIKeyCBIKVSLUDAZBNL-UHFFFAOYSA-N
XLogP1.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (CID 73439401) is 1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nccc(C)n1.
What is the InChIKey of 1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is CBIKVSLUDAZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-5-6-12-11(13-8)10-4-3-7-14(10)9(2)15/h5-6,10H,3-4,7H2,1-2H3.
What are the key properties of 1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 73439401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).