2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine

C13H19FN2 — CID 153293106

IUPAC2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1cnc(C2CCC(F)CC2)nc1
InChIInChI=1S/C13H19FN2/c1-9(2)11-7-15-13(16-8-11)10-3-5-12(14)6-4-10/h7-10,12H,3-6H2,1-2H3
InChIKeyMLIJEEZTFUFPIG-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.60
Rot. Bonds2

About 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine

2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine (PubChem CID 153293106) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine
PubChem CID153293106
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1cnc(C2CCC(F)CC2)nc1
InChIInChI=1S/C13H19FN2/c1-9(2)11-7-15-13(16-8-11)10-3-5-12(14)6-4-10/h7-10,12H,3-6H2,1-2H3
InChIKeyMLIJEEZTFUFPIG-UHFFFAOYSA-N
XLogP3.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine?
The IUPAC name of 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine (CID 153293106) is 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine is CC(C)c1cnc(C2CCC(F)CC2)nc1.
What is the InChIKey of 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine?
The InChIKey is MLIJEEZTFUFPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9(2)11-7-15-13(16-8-11)10-3-5-12(14)6-4-10/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine?
2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine has a molecular weight of 222.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 153293106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).