2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol

C19H24FN3O — CID 133472875

IUPAC2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol
SMILESCCc1cc(N2CCCC2CC(O)c2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C19H24FN3O/c1-3-16-11-19(22-13(2)21-16)23-10-4-5-17(23)12-18(24)14-6-8-15(20)9-7-14/h6-9,11,17-18,24H,3-5,10,12H2,1-2H3
InChIKeyRLGCMIGWJBAVCP-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.58
Rot. Bonds5

About 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol

2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 133472875) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol
PubChem CID133472875
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol
SMILESCCc1cc(N2CCCC2CC(O)c2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C19H24FN3O/c1-3-16-11-19(22-13(2)21-16)23-10-4-5-17(23)12-18(24)14-6-8-15(20)9-7-14/h6-9,11,17-18,24H,3-5,10,12H2,1-2H3
InChIKeyRLGCMIGWJBAVCP-UHFFFAOYSA-N
XLogP3.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol (CID 133472875) is 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol is CCc1cc(N2CCCC2CC(O)c2ccc(F)cc2)nc(C)n1.
What is the InChIKey of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is RLGCMIGWJBAVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-3-16-11-19(22-13(2)21-16)23-10-4-5-17(23)12-18(24)14-6-8-15(20)9-7-14/h6-9,11,17-18,24H,3-5,10,12H2,1-2H3.
What are the key properties of 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol?
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 329.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 133472875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).