5-(4-pentylphenyl)pyrimidine

C15H18N2 — CID 56629303

IUPAC5-(4-pentylphenyl)pyrimidine
SMILESCCCCCc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C15H18N2/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-16-12-17-11-15/h6-12H,2-5H2,1H3
InChIKeyISWIBBFJBIFAOC-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.88
Rot. Bonds5

About 5-(4-pentylphenyl)pyrimidine

5-(4-pentylphenyl)pyrimidine (PubChem CID 56629303) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(4-pentylphenyl)pyrimidine.

Molecular Properties

Compound Name5-(4-pentylphenyl)pyrimidine
PubChem CID56629303
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name5-(4-pentylphenyl)pyrimidine
SMILESCCCCCc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C15H18N2/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-16-12-17-11-15/h6-12H,2-5H2,1H3
InChIKeyISWIBBFJBIFAOC-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.88
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-(4-propylphenyl)pyrimidine
CID 89220429
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
1-pentadecyl-4-phenylbenzene
CID 57166115
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
2,5-bis(4-octylphenyl)pyridine
CID 139839621
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
4-(4-octadecylphenyl)benzenethiol
CID 134936183
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608

Frequently Asked Questions

What is the IUPAC name of 5-(4-pentylphenyl)pyrimidine?
The IUPAC name of 5-(4-pentylphenyl)pyrimidine (CID 56629303) is 5-(4-pentylphenyl)pyrimidine.
What is the SMILES notation for 5-(4-pentylphenyl)pyrimidine?
The canonical SMILES for 5-(4-pentylphenyl)pyrimidine is CCCCCc1ccc(-c2cncnc2)cc1.
What is the InChIKey of 5-(4-pentylphenyl)pyrimidine?
The InChIKey is ISWIBBFJBIFAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-16-12-17-11-15/h6-12H,2-5H2,1H3.
What are the key properties of 5-(4-pentylphenyl)pyrimidine?
5-(4-pentylphenyl)pyrimidine has a molecular weight of 226.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pentylphenyl)pyrimidine is sourced from PubChem (CID 56629303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).