1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone

C10H12FN3O — CID 121020789

IUPAC1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H12FN3O/c1-7(15)8-2-3-14(6-8)10-12-4-9(11)5-13-10/h4-5,8H,2-3,6H2,1H3
InChIKeyMHHQAVAIIZQXBU-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.03
Rot. Bonds2

About 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone

1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone (PubChem CID 121020789) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone
PubChem CID121020789
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone
SMILESCC(=O)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H12FN3O/c1-7(15)8-2-3-14(6-8)10-12-4-9(11)5-13-10/h4-5,8H,2-3,6H2,1H3
InChIKeyMHHQAVAIIZQXBU-UHFFFAOYSA-N
XLogP1.03
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97385434
1-[[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554099
1-(5-Fluoro-2-pyrimidinyl)-4-piperidinecarbaldehyde
CID 86638747
1-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]ethanone
CID 104606097
Methyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 112703074
3-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-3-methylbutan-2-one
CID 142475938
5-fluoro-2-[(3R)-3-methylpyrrolidin-1-yl]pyrimidine
CID 144881652
5-fluoro-2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]pyrimidine
CID 169304038
4-Methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-one
CID 169655468
4-(5-Fluoropyrimidin-2-yl)butan-2-one
CID 170609767
1-(5-Fluoropyrimidin-2-yl)-4-methylpentan-3-one
CID 170610136
6-(2-Chloro-5-fluoropyrimidin-4-yl)-6-azaspiro[3.4]octan-8-one
CID 172608383

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone (CID 121020789) is 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone is CC(=O)C1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone?
The InChIKey is MHHQAVAIIZQXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-7(15)8-2-3-14(6-8)10-12-4-9(11)5-13-10/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone?
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone has a molecular weight of 209.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 121020789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).