4-fluoro-6-(oxolan-3-yloxy)pyrimidine

C8H9FN2O2 — CID 115416188

IUPAC4-fluoro-6-(oxolan-3-yloxy)pyrimidine
SMILESFc1cc(OC2CCOC2)ncn1
InChIInChI=1S/C8H9FN2O2/c9-7-3-8(11-5-10-7)13-6-1-2-12-4-6/h3,5-6H,1-2,4H2
InChIKeyPBHVRFHIBRBFDX-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.78
Rot. Bonds2

About 4-fluoro-6-(oxolan-3-yloxy)pyrimidine

4-fluoro-6-(oxolan-3-yloxy)pyrimidine (PubChem CID 115416188) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 4-fluoro-6-(oxolan-3-yloxy)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(oxolan-3-yloxy)pyrimidine
PubChem CID115416188
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name4-fluoro-6-(oxolan-3-yloxy)pyrimidine
SMILESFc1cc(OC2CCOC2)ncn1
InChIInChI=1S/C8H9FN2O2/c9-7-3-8(11-5-10-7)13-6-1-2-12-4-6/h3,5-6H,1-2,4H2
InChIKeyPBHVRFHIBRBFDX-UHFFFAOYSA-N
XLogP0.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(oxolan-3-yloxy)pyrimidine?
The IUPAC name of 4-fluoro-6-(oxolan-3-yloxy)pyrimidine (CID 115416188) is 4-fluoro-6-(oxolan-3-yloxy)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(oxolan-3-yloxy)pyrimidine?
The canonical SMILES for 4-fluoro-6-(oxolan-3-yloxy)pyrimidine is Fc1cc(OC2CCOC2)ncn1.
What is the InChIKey of 4-fluoro-6-(oxolan-3-yloxy)pyrimidine?
The InChIKey is PBHVRFHIBRBFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-7-3-8(11-5-10-7)13-6-1-2-12-4-6/h3,5-6H,1-2,4H2.
What are the key properties of 4-fluoro-6-(oxolan-3-yloxy)pyrimidine?
4-fluoro-6-(oxolan-3-yloxy)pyrimidine has a molecular weight of 184.17 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(oxolan-3-yloxy)pyrimidine is sourced from PubChem (CID 115416188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).