4-cyclohexyloxy-6-fluoropyrimidine

C10H13FN2O — CID 115416009

IUPAC4-cyclohexyloxy-6-fluoropyrimidine
SMILESFc1cc(OC2CCCCC2)ncn1
InChIInChI=1S/C10H13FN2O/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyXMMRXNMDDIWFMZ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.33
Rot. Bonds2

About 4-cyclohexyloxy-6-fluoropyrimidine

4-cyclohexyloxy-6-fluoropyrimidine (PubChem CID 115416009) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-cyclohexyloxy-6-fluoropyrimidine.

Molecular Properties

Compound Name4-cyclohexyloxy-6-fluoropyrimidine
PubChem CID115416009
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name4-cyclohexyloxy-6-fluoropyrimidine
SMILESFc1cc(OC2CCCCC2)ncn1
InChIInChI=1S/C10H13FN2O/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyXMMRXNMDDIWFMZ-UHFFFAOYSA-N
XLogP2.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-6-fluoropyrimidine?
The IUPAC name of 4-cyclohexyloxy-6-fluoropyrimidine (CID 115416009) is 4-cyclohexyloxy-6-fluoropyrimidine.
What is the SMILES notation for 4-cyclohexyloxy-6-fluoropyrimidine?
The canonical SMILES for 4-cyclohexyloxy-6-fluoropyrimidine is Fc1cc(OC2CCCCC2)ncn1.
What is the InChIKey of 4-cyclohexyloxy-6-fluoropyrimidine?
The InChIKey is XMMRXNMDDIWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 4-cyclohexyloxy-6-fluoropyrimidine?
4-cyclohexyloxy-6-fluoropyrimidine has a molecular weight of 196.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-6-fluoropyrimidine is sourced from PubChem (CID 115416009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).