5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine

C12H15FN2 — CID 123761045

IUPAC5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine
SMILESC=C1CC(F)CCC1c1cnc(C)nc1
InChIInChI=1S/C12H15FN2/c1-8-5-11(13)3-4-12(8)10-6-14-9(2)15-7-10/h6-7,11-12H,1,3-5H2,2H3
InChIKeyXZBFYESYLRSWKP-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.95
Rot. Bonds1

About 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine

5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine (PubChem CID 123761045) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine
PubChem CID123761045
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine
SMILESC=C1CC(F)CCC1c1cnc(C)nc1
InChIInChI=1S/C12H15FN2/c1-8-5-11(13)3-4-12(8)10-6-14-9(2)15-7-10/h6-7,11-12H,1,3-5H2,2H3
InChIKeyXZBFYESYLRSWKP-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine?
The IUPAC name of 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine (CID 123761045) is 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine.
What is the SMILES notation for 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine?
The canonical SMILES for 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine is C=C1CC(F)CCC1c1cnc(C)nc1.
What is the InChIKey of 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine?
The InChIKey is XZBFYESYLRSWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-8-5-11(13)3-4-12(8)10-6-14-9(2)15-7-10/h6-7,11-12H,1,3-5H2,2H3.
What are the key properties of 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine?
5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine has a molecular weight of 206.26 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylidenecyclohexyl)-2-methylpyrimidine is sourced from PubChem (CID 123761045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).