5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine

C34H54N2O — CID 19839566

IUPAC5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine
SMILESCCCCCCCCCCCOc1ccccc1-c1ncncc1CCC1CCC(CCCCC)CC1
InChIInChI=1S/C34H54N2O/c1-3-5-7-8-9-10-11-12-16-26-37-33-19-15-14-18-32(33)34-31(27-35-28-36-34)25-24-30-22-20-29(21-23-30)17-13-6-4-2/h14-15,18-19,27-30H,3-13,16-17,20-26H2,1-2H3
InChIKeyGSTHYYTUZNUSHJ-UHFFFAOYSA-N
MW506.82 g/mol
LogP10.37
Rot. Bonds19

About 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine

5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine (PubChem CID 19839566) has the molecular formula C34H54N2O and a molecular weight of 506.82 g/mol. Its IUPAC name is 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine
PubChem CID19839566
Molecular FormulaC34H54N2O
Molecular Weight506.82 g/mol
Exact Mass506.42
IUPAC Name5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine
SMILESCCCCCCCCCCCOc1ccccc1-c1ncncc1CCC1CCC(CCCCC)CC1
InChIInChI=1S/C34H54N2O/c1-3-5-7-8-9-10-11-12-16-26-37-33-19-15-14-18-32(33)34-31(27-35-28-36-34)25-24-30-22-20-29(21-23-30)17-13-6-4-2/h14-15,18-19,27-30H,3-13,16-17,20-26H2,1-2H3
InChIKeyGSTHYYTUZNUSHJ-UHFFFAOYSA-N
XLogP10.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.82
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 19839774
5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-pentylphenyl)pyrimidine
CID 19839888
1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
1-(7-cyclopentylheptoxy)-2-octylbenzene
CID 173313687
4-(2-fluorophenyl)-5-hexylpyrimidine
CID 22392469
5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine
CID 18660341
3-[1-(4-butylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859522
1-octadecoxy-2-phenylbenzene
CID 70983974
4-(2-pentoxyphenyl)-3-[1-(4-propylcyclohexyl)ethyl]pyridine
CID 19859911
3-[2,3-difluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-pentoxypyridazine
CID 139778516
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine
CID 19859693

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine?
The IUPAC name of 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine (CID 19839566) is 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine.
What is the SMILES notation for 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine?
The canonical SMILES for 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine is CCCCCCCCCCCOc1ccccc1-c1ncncc1CCC1CCC(CCCCC)CC1.
What is the InChIKey of 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine?
The InChIKey is GSTHYYTUZNUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54N2O/c1-3-5-7-8-9-10-11-12-16-26-37-33-19-15-14-18-32(33)34-31(27-35-28-36-34)25-24-30-22-20-29(21-23-30)17-13-6-4-2/h14-15,18-19,27-30H,3-13,16-17,20-26H2,1-2H3.
What are the key properties of 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine?
5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine has a molecular weight of 506.82 g/mol, XLogP of 10.37, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine is sourced from PubChem (CID 19839566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).