ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine

C16H25F3N2O — CID 176691022

IUPACethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine
SMILESCC.CCc1cc(OCC2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C14H19F3N2O.C2H6/c1-2-12-7-13(19-9-18-12)20-8-10-3-5-11(6-4-10)14(15,16)17;1-2/h7,9-11H,2-6,8H2,1H3;1-2H3
InChIKeyDXVNMKGNCIJDFL-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.81
Rot. Bonds4

About ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine

ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine (PubChem CID 176691022) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine.

Molecular Properties

Compound Nameethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine
PubChem CID176691022
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC Nameethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine
SMILESCC.CCc1cc(OCC2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C14H19F3N2O.C2H6/c1-2-12-7-13(19-9-18-12)20-8-10-3-5-11(6-4-10)14(15,16)17;1-2/h7,9-11H,2-6,8H2,1H3;1-2H3
InChIKeyDXVNMKGNCIJDFL-UHFFFAOYSA-N
XLogP4.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine?
The IUPAC name of ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine (CID 176691022) is ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine.
What is the SMILES notation for ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine?
The canonical SMILES for ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine is CC.CCc1cc(OCC2CCC(C(F)(F)F)CC2)ncn1.
What is the InChIKey of ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine?
The InChIKey is DXVNMKGNCIJDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O.C2H6/c1-2-12-7-13(19-9-18-12)20-8-10-3-5-11(6-4-10)14(15,16)17;1-2/h7,9-11H,2-6,8H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine?
ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine has a molecular weight of 318.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine is sourced from PubChem (CID 176691022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).