4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine

C18H22FN3 — CID 133461341

IUPAC4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine
SMILESCCc1cc(N2CC(C)CC2c2ccccc2F)nc(C)n1
InChIInChI=1S/C18H22FN3/c1-4-14-10-18(21-13(3)20-14)22-11-12(2)9-17(22)15-7-5-6-8-16(15)19/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyBWTVSTDLDNRIIT-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.07
Rot. Bonds3

About 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine

4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine (PubChem CID 133461341) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine
PubChem CID133461341
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine
SMILESCCc1cc(N2CC(C)CC2c2ccccc2F)nc(C)n1
InChIInChI=1S/C18H22FN3/c1-4-14-10-18(21-13(3)20-14)22-11-12(2)9-17(22)15-7-5-6-8-16(15)19/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyBWTVSTDLDNRIIT-UHFFFAOYSA-N
XLogP4.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine (CID 133461341) is 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine is CCc1cc(N2CC(C)CC2c2ccccc2F)nc(C)n1.
What is the InChIKey of 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine?
The InChIKey is BWTVSTDLDNRIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3/c1-4-14-10-18(21-13(3)20-14)22-11-12(2)9-17(22)15-7-5-6-8-16(15)19/h5-8,10,12,17H,4,9,11H2,1-3H3.
What are the key properties of 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine?
4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine has a molecular weight of 299.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 133461341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).