4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine

C11H13Cl2FN2 — CID 80550168

IUPAC4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine
SMILESCCC1CCC(c2nc(Cl)c(F)c(Cl)n2)C1
InChIInChI=1S/C11H13Cl2FN2/c1-2-6-3-4-7(5-6)11-15-9(12)8(14)10(13)16-11/h6-7H,2-5H2,1H3
InChIKeyYVDJCMLCZUNZGZ-UHFFFAOYSA-N
MW263.14 g/mol
LogP4.22
Rot. Bonds2

About 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine

4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine (PubChem CID 80550168) has the molecular formula C11H13Cl2FN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine
PubChem CID80550168
Molecular FormulaC11H13Cl2FN2
Molecular Weight263.14 g/mol
Exact Mass262.04
IUPAC Name4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine
SMILESCCC1CCC(c2nc(Cl)c(F)c(Cl)n2)C1
InChIInChI=1S/C11H13Cl2FN2/c1-2-6-3-4-7(5-6)11-15-9(12)8(14)10(13)16-11/h6-7H,2-5H2,1H3
InChIKeyYVDJCMLCZUNZGZ-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine (CID 80550168) is 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine is CCC1CCC(c2nc(Cl)c(F)c(Cl)n2)C1.
What is the InChIKey of 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine?
The InChIKey is YVDJCMLCZUNZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2/c1-2-6-3-4-7(5-6)11-15-9(12)8(14)10(13)16-11/h6-7H,2-5H2,1H3.
What are the key properties of 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine?
4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine has a molecular weight of 263.14 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine is sourced from PubChem (CID 80550168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).