2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine

C18H26F2N2 — CID 139679897

IUPAC2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine
SMILESCCCc1cnc(/C(F)=C(\F)C2CCC(CCC)CC2)nc1
InChIInChI=1S/C18H26F2N2/c1-3-5-13-7-9-15(10-8-13)16(19)17(20)18-21-11-14(6-4-2)12-22-18/h11-13,15H,3-10H2,1-2H3/b17-16+
InChIKeyIPIQOQXOLIYGHZ-WUKNDPDISA-N
MW308.42 g/mol
LogP5.64
Rot. Bonds6

About 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine

2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine (PubChem CID 139679897) has the molecular formula C18H26F2N2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine
PubChem CID139679897
Molecular FormulaC18H26F2N2
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine
SMILESCCCc1cnc(/C(F)=C(\F)C2CCC(CCC)CC2)nc1
InChIInChI=1S/C18H26F2N2/c1-3-5-13-7-9-15(10-8-13)16(19)17(20)18-21-11-14(6-4-2)12-22-18/h11-13,15H,3-10H2,1-2H3/b17-16+
InChIKeyIPIQOQXOLIYGHZ-WUKNDPDISA-N
XLogP5.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine 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 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine?
The IUPAC name of 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine (CID 139679897) is 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine?
The canonical SMILES for 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine is CCCc1cnc(/C(F)=C(\F)C2CCC(CCC)CC2)nc1.
What is the InChIKey of 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine?
The InChIKey is IPIQOQXOLIYGHZ-WUKNDPDISA-N. The full InChI is InChI=1S/C18H26F2N2/c1-3-5-13-7-9-15(10-8-13)16(19)17(20)18-21-11-14(6-4-2)12-22-18/h11-13,15H,3-10H2,1-2H3/b17-16+.
What are the key properties of 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine?
2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine has a molecular weight of 308.42 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-5-propylpyrimidine is sourced from PubChem (CID 139679897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).