2-(4-pentylphenyl)-5-phenylpyrimidine

C21H22N2 — CID 71339223

IUPAC2-(4-pentylphenyl)-5-phenylpyrimidine
SMILESCCCCCc1ccc(-c2ncc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N2/c1-2-3-5-8-17-11-13-19(14-12-17)21-22-15-20(16-23-21)18-9-6-4-7-10-18/h4,6-7,9-16H,2-3,5,8H2,1H3
InChIKeyOKQZBZFGZRJTLQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.54
Rot. Bonds6

About 2-(4-pentylphenyl)-5-phenylpyrimidine

2-(4-pentylphenyl)-5-phenylpyrimidine (PubChem CID 71339223) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(4-pentylphenyl)-5-phenylpyrimidine.

Molecular Properties

Compound Name2-(4-pentylphenyl)-5-phenylpyrimidine
PubChem CID71339223
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name2-(4-pentylphenyl)-5-phenylpyrimidine
SMILESCCCCCc1ccc(-c2ncc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N2/c1-2-3-5-8-17-11-13-19(14-12-17)21-22-15-20(16-23-21)18-9-6-4-7-10-18/h4,6-7,9-16H,2-3,5,8H2,1H3
InChIKeyOKQZBZFGZRJTLQ-UHFFFAOYSA-N
XLogP5.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.54
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-pentadecyl-2-(4-phenylphenyl)pyrimidine
CID 140591488
5-hexyl-2-(4-phenylphenyl)pyrimidine
CID 21393178
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
CID 22089512
4-[5-(4-decylphenyl)pyrimidin-2-yl]benzenethiol
CID 154261504
4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentylphenyl)-5-phenylpyrimidine?
The IUPAC name of 2-(4-pentylphenyl)-5-phenylpyrimidine (CID 71339223) is 2-(4-pentylphenyl)-5-phenylpyrimidine.
What is the SMILES notation for 2-(4-pentylphenyl)-5-phenylpyrimidine?
The canonical SMILES for 2-(4-pentylphenyl)-5-phenylpyrimidine is CCCCCc1ccc(-c2ncc(-c3ccccc3)cn2)cc1.
What is the InChIKey of 2-(4-pentylphenyl)-5-phenylpyrimidine?
The InChIKey is OKQZBZFGZRJTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-2-3-5-8-17-11-13-19(14-12-17)21-22-15-20(16-23-21)18-9-6-4-7-10-18/h4,6-7,9-16H,2-3,5,8H2,1H3.
What are the key properties of 2-(4-pentylphenyl)-5-phenylpyrimidine?
2-(4-pentylphenyl)-5-phenylpyrimidine has a molecular weight of 302.42 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentylphenyl)-5-phenylpyrimidine is sourced from PubChem (CID 71339223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).