2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine

C13H17F3N2O — CID 176690803

IUPAC2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
SMILESCc1cc(OC2CCC(C(F)(F)F)CC2)nc(C)n1
InChIInChI=1S/C13H17F3N2O/c1-8-7-12(18-9(2)17-8)19-11-5-3-10(4-6-11)13(14,15)16/h7,10-11H,3-6H2,1-2H3
InChIKeyCKKHDDOHOSERSY-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.59
Rot. Bonds2

About 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine

2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine (PubChem CID 176690803) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
PubChem CID176690803
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
SMILESCc1cc(OC2CCC(C(F)(F)F)CC2)nc(C)n1
InChIInChI=1S/C13H17F3N2O/c1-8-7-12(18-9(2)17-8)19-11-5-3-10(4-6-11)13(14,15)16/h7,10-11H,3-6H2,1-2H3
InChIKeyCKKHDDOHOSERSY-UHFFFAOYSA-N
XLogP3.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
The IUPAC name of 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine (CID 176690803) is 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine is Cc1cc(OC2CCC(C(F)(F)F)CC2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
The InChIKey is CKKHDDOHOSERSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8-7-12(18-9(2)17-8)19-11-5-3-10(4-6-11)13(14,15)16/h7,10-11H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine has a molecular weight of 274.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine is sourced from PubChem (CID 176690803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).