4-cyclopentyloxy-6-fluoropyrimidine

C9H11FN2O — CID 115416010

IUPAC4-cyclopentyloxy-6-fluoropyrimidine
SMILESFc1cc(OC2CCCC2)ncn1
InChIInChI=1S/C9H11FN2O/c10-8-5-9(12-6-11-8)13-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyFNWXZLQBIMTNJD-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.94
Rot. Bonds2

About 4-cyclopentyloxy-6-fluoropyrimidine

4-cyclopentyloxy-6-fluoropyrimidine (PubChem CID 115416010) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 4-cyclopentyloxy-6-fluoropyrimidine.

Molecular Properties

Compound Name4-cyclopentyloxy-6-fluoropyrimidine
PubChem CID115416010
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name4-cyclopentyloxy-6-fluoropyrimidine
SMILESFc1cc(OC2CCCC2)ncn1
InChIInChI=1S/C9H11FN2O/c10-8-5-9(12-6-11-8)13-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyFNWXZLQBIMTNJD-UHFFFAOYSA-N
XLogP1.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-6-fluoropyrimidine?
The IUPAC name of 4-cyclopentyloxy-6-fluoropyrimidine (CID 115416010) is 4-cyclopentyloxy-6-fluoropyrimidine.
What is the SMILES notation for 4-cyclopentyloxy-6-fluoropyrimidine?
The canonical SMILES for 4-cyclopentyloxy-6-fluoropyrimidine is Fc1cc(OC2CCCC2)ncn1.
What is the InChIKey of 4-cyclopentyloxy-6-fluoropyrimidine?
The InChIKey is FNWXZLQBIMTNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-8-5-9(12-6-11-8)13-7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 4-cyclopentyloxy-6-fluoropyrimidine?
4-cyclopentyloxy-6-fluoropyrimidine has a molecular weight of 182.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-6-fluoropyrimidine is sourced from PubChem (CID 115416010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).