4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine

C9H9Cl2FN2 — CID 80550203

IUPAC4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C2CCCC2)nc1Cl
InChIInChI=1S/C9H9Cl2FN2/c10-7-6(12)8(11)14-9(13-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyGFPPZWCSINCLKZ-UHFFFAOYSA-N
MW235.09 g/mol
LogP3.58
Rot. Bonds1

About 4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine

4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine (PubChem CID 80550203) has the molecular formula C9H9Cl2FN2 and a molecular weight of 235.09 g/mol. Its IUPAC name is 4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine
PubChem CID80550203
Molecular FormulaC9H9Cl2FN2
Molecular Weight235.09 g/mol
Exact Mass234.01
IUPAC Name4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C2CCCC2)nc1Cl
InChIInChI=1S/C9H9Cl2FN2/c10-7-6(12)8(11)14-9(13-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyGFPPZWCSINCLKZ-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 53.58
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-cyclopentyl-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine (CID 80550203) is 4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine is Fc1c(Cl)nc(C2CCCC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine?
The InChIKey is GFPPZWCSINCLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FN2/c10-7-6(12)8(11)14-9(13-7)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of 4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine?
4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine has a molecular weight of 235.09 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-cyclopentyl-5-fluoropyrimidine is sourced from PubChem (CID 80550203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).