5-cyclohexyl-2-fluoropyrimidine

C10H13FN2 — CID 129014589

IUPAC5-cyclohexyl-2-fluoropyrimidine
SMILESFc1ncc(C2CCCCC2)cn1
InChIInChI=1S/C10H13FN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyBRNMKLZOSCSPFP-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.66
Rot. Bonds1

About 5-cyclohexyl-2-fluoropyrimidine

5-cyclohexyl-2-fluoropyrimidine (PubChem CID 129014589) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-cyclohexyl-2-fluoropyrimidine.

Molecular Properties

Compound Name5-cyclohexyl-2-fluoropyrimidine
PubChem CID129014589
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name5-cyclohexyl-2-fluoropyrimidine
SMILESFc1ncc(C2CCCCC2)cn1
InChIInChI=1S/C10H13FN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyBRNMKLZOSCSPFP-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 5-cyclohexyl-2-fluoropyrimidine?
The IUPAC name of 5-cyclohexyl-2-fluoropyrimidine (CID 129014589) is 5-cyclohexyl-2-fluoropyrimidine.
What is the SMILES notation for 5-cyclohexyl-2-fluoropyrimidine?
The canonical SMILES for 5-cyclohexyl-2-fluoropyrimidine is Fc1ncc(C2CCCCC2)cn1.
What is the InChIKey of 5-cyclohexyl-2-fluoropyrimidine?
The InChIKey is BRNMKLZOSCSPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 5-cyclohexyl-2-fluoropyrimidine?
5-cyclohexyl-2-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 5-cyclohexyl-2-fluoropyrimidine is sourced from PubChem (CID 129014589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).