(2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

C17H18FN3O — CID 97192296

IUPAC(2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C17H18FN3O/c1-2-16-19-10-13(11-20-16)17(22)21-9-3-4-15(21)12-5-7-14(18)8-6-12/h5-8,10-11,15H,2-4,9H2,1H3/t15-/m0/s1
InChIKeyYAXXYKMAZHAGFF-HNNXBMFYSA-N
MW299.35 g/mol
LogP3.16
Rot. Bonds3

About (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 97192296) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID97192296
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C17H18FN3O/c1-2-16-19-10-13(11-20-16)17(22)21-9-3-4-15(21)12-5-7-14(18)8-6-12/h5-8,10-11,15H,2-4,9H2,1H3/t15-/m0/s1
InChIKeyYAXXYKMAZHAGFF-HNNXBMFYSA-N
XLogP3.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (CID 97192296) is (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is CCc1ncc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is YAXXYKMAZHAGFF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-2-16-19-10-13(11-20-16)17(22)21-9-3-4-15(21)12-5-7-14(18)8-6-12/h5-8,10-11,15H,2-4,9H2,1H3/t15-/m0/s1.
What are the key properties of (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 299.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97192296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).