1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

C12H17N3O — CID 110269232

IUPAC1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C12H17N3O/c1-8-6-9(2)14-12(13-8)11-4-5-15(7-11)10(3)16/h6,11H,4-5,7H2,1-3H3
InChIKeyRCJMVAJKXRSNRC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.43
Rot. Bonds1

About 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 110269232) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID110269232
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C12H17N3O/c1-8-6-9(2)14-12(13-8)11-4-5-15(7-11)10(3)16/h6,11H,4-5,7H2,1-3H3
InChIKeyRCJMVAJKXRSNRC-UHFFFAOYSA-N
XLogP1.43
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (CID 110269232) is 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(C)cc(C)n2)C1.
What is the InChIKey of 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is RCJMVAJKXRSNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-6-9(2)14-12(13-8)11-4-5-15(7-11)10(3)16/h6,11H,4-5,7H2,1-3H3.
What are the key properties of 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 219.29 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110269232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).