2-cyclohexyl-5-fluoropyrimidine

C10H13FN2 — CID 91806636

IUPAC2-cyclohexyl-5-fluoropyrimidine
SMILESFc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C10H13FN2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyWFHMHGGYCYOPGG-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.66
Rot. Bonds1

About 2-cyclohexyl-5-fluoropyrimidine

2-cyclohexyl-5-fluoropyrimidine (PubChem CID 91806636) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-cyclohexyl-5-fluoropyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-5-fluoropyrimidine
PubChem CID91806636
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name2-cyclohexyl-5-fluoropyrimidine
SMILESFc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C10H13FN2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyWFHMHGGYCYOPGG-UHFFFAOYSA-N
XLogP2.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-fluoropyrimidine?
The IUPAC name of 2-cyclohexyl-5-fluoropyrimidine (CID 91806636) is 2-cyclohexyl-5-fluoropyrimidine.
What is the SMILES notation for 2-cyclohexyl-5-fluoropyrimidine?
The canonical SMILES for 2-cyclohexyl-5-fluoropyrimidine is Fc1cnc(C2CCCCC2)nc1.
What is the InChIKey of 2-cyclohexyl-5-fluoropyrimidine?
The InChIKey is WFHMHGGYCYOPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-cyclohexyl-5-fluoropyrimidine?
2-cyclohexyl-5-fluoropyrimidine has a molecular weight of 180.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-fluoropyrimidine is sourced from PubChem (CID 91806636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).