(2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone

C17H18FN3O — CID 97187907

IUPAC(2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CC[C@H](c3ccccc3F)C2)cn1
InChIInChI=1S/C17H18FN3O/c1-2-16-19-9-13(10-20-16)17(22)21-8-7-12(11-21)14-5-3-4-6-15(14)18/h3-6,9-10,12H,2,7-8,11H2,1H3/t12-/m0/s1
InChIKeyOZZAHJMPSCBTGL-LBPRGKRZSA-N
MW299.35 g/mol
LogP2.81
Rot. Bonds3

About (2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 97187907) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID97187907
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CC[C@H](c3ccccc3F)C2)cn1
InChIInChI=1S/C17H18FN3O/c1-2-16-19-9-13(10-20-16)17(22)21-8-7-12(11-21)14-5-3-4-6-15(14)18/h3-6,9-10,12H,2,7-8,11H2,1H3/t12-/m0/s1
InChIKeyOZZAHJMPSCBTGL-LBPRGKRZSA-N
XLogP2.81
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 ≤ 52.81
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)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone (CID 97187907) is (2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone is CCc1ncc(C(=O)N2CC[C@H](c3ccccc3F)C2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is OZZAHJMPSCBTGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-2-16-19-9-13(10-20-16)17(22)21-8-7-12(11-21)14-5-3-4-6-15(14)18/h3-6,9-10,12H,2,7-8,11H2,1H3/t12-/m0/s1.
What are the key properties of (2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 299.35 g/mol, XLogP of 2.81, 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)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97187907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).