2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone

C17H18FN3O2 — CID 53037918

IUPAC2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESCc1cc(OCC(=O)N2CCCC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN3O2/c1-12-10-15(23-11-16(22)21-8-2-3-9-21)20-17(19-12)13-4-6-14(18)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyKLGIHIWGTXSZNL-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.59
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone

2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone (PubChem CID 53037918) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
PubChem CID53037918
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
SMILESCc1cc(OCC(=O)N2CCCC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN3O2/c1-12-10-15(23-11-16(22)21-8-2-3-9-21)20-17(19-12)13-4-6-14(18)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyKLGIHIWGTXSZNL-UHFFFAOYSA-N
XLogP2.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone (CID 53037918) is 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone is Cc1cc(OCC(=O)N2CCCC2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is KLGIHIWGTXSZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-12-10-15(23-11-16(22)21-8-2-3-9-21)20-17(19-12)13-4-6-14(18)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone?
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 315.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53037918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).