2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine

C20H26N2O — CID 19839599

IUPAC2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine
SMILESCCOc1ccc(-c2ncc(C3CCC(CC)CC3)cn2)cc1
InChIInChI=1S/C20H26N2O/c1-3-15-5-7-16(8-6-15)18-13-21-20(22-14-18)17-9-11-19(12-10-17)23-4-2/h9-16H,3-8H2,1-2H3
InChIKeyNXUUUMHRUXRJMU-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.23
Rot. Bonds5

About 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine

2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine (PubChem CID 19839599) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine
PubChem CID19839599
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine
SMILESCCOc1ccc(-c2ncc(C3CCC(CC)CC3)cn2)cc1
InChIInChI=1S/C20H26N2O/c1-3-15-5-7-16(8-6-15)18-13-21-20(22-14-18)17-9-11-19(12-10-17)23-4-2/h9-16H,3-8H2,1-2H3
InChIKeyNXUUUMHRUXRJMU-UHFFFAOYSA-N
XLogP5.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine
CID 19839692
5-(4-butylcyclohexyl)-2-(4-nonoxyphenyl)pyrimidine
CID 19839865
2-(4-heptoxyphenyl)-5-(4-heptylcyclohexyl)pyrimidine;2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine
CID 160954662
5-(4-heptylcyclohexyl)-2-(4-methoxyphenyl)pyrimidine
CID 19839897
2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine
CID 134353176
2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine
CID 19101227
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513
5-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350
2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrimidine
CID 19839923
1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
CID 20539326
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine?
The IUPAC name of 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine (CID 19839599) is 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine is CCOc1ccc(-c2ncc(C3CCC(CC)CC3)cn2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine?
The InChIKey is NXUUUMHRUXRJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-15-5-7-16(8-6-15)18-13-21-20(22-14-18)17-9-11-19(12-10-17)23-4-2/h9-16H,3-8H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine?
2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine has a molecular weight of 310.44 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine is sourced from PubChem (CID 19839599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).