5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine

C25H31N3 — CID 139621534

IUPAC5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
SMILESCCCCCc1ccc(-c2ccc(-c3ncc(CCCCC)cn3)cc2)nc1
InChIInChI=1S/C25H31N3/c1-3-5-7-9-20-11-16-24(26-17-20)22-12-14-23(15-13-22)25-27-18-21(19-28-25)10-8-6-4-2/h11-19H,3-10H2,1-2H3
InChIKeyZOLSGLGKJPGLAU-UHFFFAOYSA-N
MW373.54 g/mol
LogP6.67
Rot. Bonds10

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

5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine (PubChem CID 139621534) has the molecular formula C25H31N3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
PubChem CID139621534
Molecular FormulaC25H31N3
Molecular Weight373.54 g/mol
Exact Mass373.25
IUPAC Name5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
SMILESCCCCCc1ccc(-c2ccc(-c3ncc(CCCCC)cn3)cc2)nc1
InChIInChI=1S/C25H31N3/c1-3-5-7-9-20-11-16-24(26-17-20)22-12-14-23(15-13-22)25-27-18-21(19-28-25)10-8-6-4-2/h11-19H,3-10H2,1-2H3
InChIKeyZOLSGLGKJPGLAU-UHFFFAOYSA-N
XLogP6.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 56.67
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

5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535
5-heptyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621561
5-heptyl-2-[4-(5-nonyl-2-pyridinyl)phenyl]pyrimidine
CID 139621543
5-decyl-2-[6-(4-pentylphenyl)-3-pyridinyl]pyrimidine
CID 139626602
2-[6-(4-heptylphenyl)-3-pyridinyl]-5-nonylpyrimidine
CID 86172683
2-[6-(4-butylphenyl)-3-pyridinyl]-5-hexylpyrimidine
CID 86172659
2-[4-(5-heptyl-2-pyridinyl)phenyl]-5-(8-methoxyoctyl)pyrimidine
CID 139621555
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine?
The IUPAC name of 5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine (CID 139621534) is 5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine.
What is the SMILES notation for 5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine?
The canonical SMILES for 5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine is CCCCCc1ccc(-c2ccc(-c3ncc(CCCCC)cn3)cc2)nc1.
What is the InChIKey of 5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine?
The InChIKey is ZOLSGLGKJPGLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3/c1-3-5-7-9-20-11-16-24(26-17-20)22-12-14-23(15-13-22)25-27-18-21(19-28-25)10-8-6-4-2/h11-19H,3-10H2,1-2H3.
What are the key properties of 5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine?
5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine has a molecular weight of 373.54 g/mol, XLogP of 6.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine is sourced from PubChem (CID 139621534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).