2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C18H21FN4O2 — CID 124957065

IUPAC2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1cc([C@H]2CCCN2C(=O)COc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C18H21FN4O2/c1-12-21-15(10-17(20-2)22-12)16-7-4-8-23(16)18(24)11-25-14-6-3-5-13(19)9-14/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,20,21,22)/t16-/m1/s1
InChIKeyFVZOPZCHKAVIMK-MRXNPFEDSA-N
MW344.39 g/mol
LogP2.71
Rot. Bonds5

About 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 124957065) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID124957065
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1cc([C@H]2CCCN2C(=O)COc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C18H21FN4O2/c1-12-21-15(10-17(20-2)22-12)16-7-4-8-23(16)18(24)11-25-14-6-3-5-13(19)9-14/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,20,21,22)/t16-/m1/s1
InChIKeyFVZOPZCHKAVIMK-MRXNPFEDSA-N
XLogP2.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-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

1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110119264
2-(3-fluorophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260737
1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 125002734
2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110091138
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 125008651
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124976851
2-(3-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 124967242
(E)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 110091124
1-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124976129

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 124957065) is 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CNc1cc([C@H]2CCCN2C(=O)COc2cccc(F)c2)nc(C)n1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is FVZOPZCHKAVIMK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12-21-15(10-17(20-2)22-12)16-7-4-8-23(16)18(24)11-25-14-6-3-5-13(19)9-14/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,20,21,22)/t16-/m1/s1.
What are the key properties of 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 344.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124957065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).