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

C19H27F3N2O — CID 23190624

IUPAC5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
SMILESCCOC1CCC(C2CCC(c3cnc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C19H27F3N2O/c1-2-25-17-9-7-14(8-10-17)13-3-5-15(6-4-13)16-11-23-18(24-12-16)19(20,21)22/h11-15,17H,2-10H2,1H3
InChIKeyGKTXZPMTOMSCRM-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.36
Rot. Bonds4

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

5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 23190624) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
PubChem CID23190624
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
SMILESCCOC1CCC(C2CCC(c3cnc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C19H27F3N2O/c1-2-25-17-9-7-14(8-10-17)13-3-5-15(6-4-13)16-11-23-18(24-12-16)19(20,21)22/h11-15,17H,2-10H2,1H3
InChIKeyGKTXZPMTOMSCRM-UHFFFAOYSA-N
XLogP5.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine (CID 23190624) is 5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine is CCOC1CCC(C2CCC(c3cnc(C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of 5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is GKTXZPMTOMSCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O/c1-2-25-17-9-7-14(8-10-17)13-3-5-15(6-4-13)16-11-23-18(24-12-16)19(20,21)22/h11-15,17H,2-10H2,1H3.
What are the key properties of 5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine?
5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 356.43 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethoxycyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 23190624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).