4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine

C11H16FN3 — CID 83218954

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine
SMILESCCC1CCC(C)N1c1cc(F)ncn1
InChIInChI=1S/C11H16FN3/c1-3-9-5-4-8(2)15(9)11-6-10(12)13-7-14-11/h6-9H,3-5H2,1-2H3
InChIKeyMQGFLJPUPWRPIT-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.38
Rot. Bonds2

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine

4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine (PubChem CID 83218954) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine
PubChem CID83218954
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine
SMILESCCC1CCC(C)N1c1cc(F)ncn1
InChIInChI=1S/C11H16FN3/c1-3-9-5-4-8(2)15(9)11-6-10(12)13-7-14-11/h6-9H,3-5H2,1-2H3
InChIKeyMQGFLJPUPWRPIT-UHFFFAOYSA-N
XLogP2.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine (CID 83218954) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine is CCC1CCC(C)N1c1cc(F)ncn1.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine?
The InChIKey is MQGFLJPUPWRPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-3-9-5-4-8(2)15(9)11-6-10(12)13-7-14-11/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine?
4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine has a molecular weight of 209.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluoropyrimidine is sourced from PubChem (CID 83218954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).