2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine

C13H17ClFN3 — CID 79081179

IUPAC2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1N1CCCC1C1CCCC1
InChIInChI=1S/C13H17ClFN3/c14-13-16-8-10(15)12(17-13)18-7-3-6-11(18)9-4-1-2-5-9/h8-9,11H,1-7H2
InChIKeyVDZLOSFOVQJQMA-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.43
Rot. Bonds2

About 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine

2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine (PubChem CID 79081179) has the molecular formula C13H17ClFN3 and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine
PubChem CID79081179
Molecular FormulaC13H17ClFN3
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC Name2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1N1CCCC1C1CCCC1
InChIInChI=1S/C13H17ClFN3/c14-13-16-8-10(15)12(17-13)18-7-3-6-11(18)9-4-1-2-5-9/h8-9,11H,1-7H2
InChIKeyVDZLOSFOVQJQMA-UHFFFAOYSA-N
XLogP3.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine (CID 79081179) is 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine is Fc1cnc(Cl)nc1N1CCCC1C1CCCC1.
What is the InChIKey of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine?
The InChIKey is VDZLOSFOVQJQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3/c14-13-16-8-10(15)12(17-13)18-7-3-6-11(18)9-4-1-2-5-9/h8-9,11H,1-7H2.
What are the key properties of 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine?
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine has a molecular weight of 269.75 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 79081179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).