2-fluoro-5-(4-methylcyclohexyl)pyrimidine

C11H15FN2 — CID 129014591

IUPAC2-fluoro-5-(4-methylcyclohexyl)pyrimidine
SMILESCC1CCC(c2cnc(F)nc2)CC1
InChIInChI=1S/C11H15FN2/c1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10/h6-9H,2-5H2,1H3
InChIKeyFGGOONQCZNHZNT-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.91
Rot. Bonds1

About 2-fluoro-5-(4-methylcyclohexyl)pyrimidine

2-fluoro-5-(4-methylcyclohexyl)pyrimidine (PubChem CID 129014591) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-5-(4-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name2-fluoro-5-(4-methylcyclohexyl)pyrimidine
PubChem CID129014591
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-fluoro-5-(4-methylcyclohexyl)pyrimidine
SMILESCC1CCC(c2cnc(F)nc2)CC1
InChIInChI=1S/C11H15FN2/c1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10/h6-9H,2-5H2,1H3
InChIKeyFGGOONQCZNHZNT-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-methylcyclohexyl)pyrimidine?
The IUPAC name of 2-fluoro-5-(4-methylcyclohexyl)pyrimidine (CID 129014591) is 2-fluoro-5-(4-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 2-fluoro-5-(4-methylcyclohexyl)pyrimidine?
The canonical SMILES for 2-fluoro-5-(4-methylcyclohexyl)pyrimidine is CC1CCC(c2cnc(F)nc2)CC1.
What is the InChIKey of 2-fluoro-5-(4-methylcyclohexyl)pyrimidine?
The InChIKey is FGGOONQCZNHZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10/h6-9H,2-5H2,1H3.
What are the key properties of 2-fluoro-5-(4-methylcyclohexyl)pyrimidine?
2-fluoro-5-(4-methylcyclohexyl)pyrimidine has a molecular weight of 194.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 129014591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).