2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine

C13H17F3N2 — CID 19763102

IUPAC2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine
SMILESCCc1ncc(C2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H17F3N2/c1-2-12-17-7-10(8-18-12)9-3-5-11(6-4-9)13(14,15)16/h7-9,11H,2-6H2,1H3
InChIKeyLHEUJVRNSXZJHD-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.88
Rot. Bonds2

About 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine

2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine (PubChem CID 19763102) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine
PubChem CID19763102
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine
SMILESCCc1ncc(C2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H17F3N2/c1-2-12-17-7-10(8-18-12)9-3-5-11(6-4-9)13(14,15)16/h7-9,11H,2-6H2,1H3
InChIKeyLHEUJVRNSXZJHD-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine?
The IUPAC name of 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine (CID 19763102) is 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine.
What is the SMILES notation for 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine?
The canonical SMILES for 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine is CCc1ncc(C2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine?
The InChIKey is LHEUJVRNSXZJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-2-12-17-7-10(8-18-12)9-3-5-11(6-4-9)13(14,15)16/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine?
2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine has a molecular weight of 258.29 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine is sourced from PubChem (CID 19763102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).