4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine

C15H23FN4 — CID 80818648

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H23FN4/c1-2-17-15-18-10-12(16)14(19-15)20-9-5-8-13(20)11-6-3-4-7-11/h10-11,13H,2-9H2,1H3,(H,17,18,19)
InChIKeyLPOKWIQTEZWDPH-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.21
Rot. Bonds4

About 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine

4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80818648) has the molecular formula C15H23FN4 and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80818648
Molecular FormulaC15H23FN4
Molecular Weight278.37 g/mol
Exact Mass278.19
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H23FN4/c1-2-17-15-18-10-12(16)14(19-15)20-9-5-8-13(20)11-6-3-4-7-11/h10-11,13H,2-9H2,1H3,(H,17,18,19)
InChIKeyLPOKWIQTEZWDPH-UHFFFAOYSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine (CID 80818648) is 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is LPOKWIQTEZWDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-2-17-15-18-10-12(16)14(19-15)20-9-5-8-13(20)11-6-3-4-7-11/h10-11,13H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine?
4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 278.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80818648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).