5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine

C26H38N2 — CID 19839743

IUPAC5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
SMILESCCCCCc1cnc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C26H38N2/c1-3-5-6-8-24-19-27-26(28-20-24)25-17-15-23(16-18-25)14-13-22-11-9-21(7-4-2)10-12-22/h15-22H,3-14H2,1-2H3
InChIKeyOBKVFZFSBCVXNU-UHFFFAOYSA-N
MW378.60 g/mol
LogP7.42
Rot. Bonds10

About 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine

5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine (PubChem CID 19839743) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
PubChem CID19839743
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC Name5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
SMILESCCCCCc1cnc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C26H38N2/c1-3-5-6-8-24-19-27-26(28-20-24)25-17-15-23(16-18-25)14-13-22-11-9-21(7-4-2)10-12-22/h15-22H,3-14H2,1-2H3
InChIKeyOBKVFZFSBCVXNU-UHFFFAOYSA-N
XLogP7.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-nonyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839661
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965
5-[2-(4-ethylcyclohexyl)ethyl]-2-(4-nonylphenyl)pyrimidine
CID 54448604
5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839760
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
5-decyl-2-[6-(4-propylcyclohexyl)-3-pyridinyl]pyrimidine
CID 139626585

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine?
The IUPAC name of 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine (CID 19839743) is 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine.
What is the SMILES notation for 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine?
The canonical SMILES for 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine is CCCCCc1cnc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1.
What is the InChIKey of 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine?
The InChIKey is OBKVFZFSBCVXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2/c1-3-5-6-8-24-19-27-26(28-20-24)25-17-15-23(16-18-25)14-13-22-11-9-21(7-4-2)10-12-22/h15-22H,3-14H2,1-2H3.
What are the key properties of 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine?
5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine has a molecular weight of 378.60 g/mol, XLogP of 7.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine is sourced from PubChem (CID 19839743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).