2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine

C24H27FN2O — CID 54035190

IUPAC2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine
SMILESCCCCCc1ccc(-c2cnc(-c3ccc(OCC(C)F)cc3)nc2)cc1
InChIInChI=1S/C24H27FN2O/c1-3-4-5-6-19-7-9-20(10-8-19)22-15-26-24(27-16-22)21-11-13-23(14-12-21)28-17-18(2)25/h7-16,18H,3-6,17H2,1-2H3
InChIKeyLIKXUUJAPHZBDM-UHFFFAOYSA-N
MW378.49 g/mol
LogP6.28
Rot. Bonds9

About 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine

2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine (PubChem CID 54035190) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine
PubChem CID54035190
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine
SMILESCCCCCc1ccc(-c2cnc(-c3ccc(OCC(C)F)cc3)nc2)cc1
InChIInChI=1S/C24H27FN2O/c1-3-4-5-6-19-7-9-20(10-8-19)22-15-26-24(27-16-22)21-11-13-23(14-12-21)28-17-18(2)25/h7-16,18H,3-6,17H2,1-2H3
InChIKeyLIKXUUJAPHZBDM-UHFFFAOYSA-N
XLogP6.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 56.28
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-[4-(2-fluoropropoxy)phenyl]-2-(4-hexylphenyl)pyrimidine
CID 22161104
2-(4-dodecylphenyl)-5-[4-(2-fluoropropoxy)phenyl]pyrimidine
CID 22161164
5-[4-(2-fluoro-3-methylpentoxy)phenyl]-2-(4-nonylphenyl)pyrimidine
CID 22161083
2-[4-(2-fluoro-3-methylpentoxy)phenyl]-5-(4-heptylphenyl)pyrimidine
CID 54492448
2-(4-dodecylphenyl)-5-[4-(2-fluoro-3-methylpentoxy)phenyl]pyrimidine
CID 22161132
5-[4-(2-fluoro-4-methylpentoxy)phenyl]-2-(4-heptylphenyl)pyrimidine
CID 22161202
5-[4-(2-fluorobutoxy)phenyl]-2-(4-nonylphenyl)pyrimidine
CID 22161258
5-[4-(2-fluorobutoxy)phenyl]-2-(4-hexylphenyl)pyrimidine
CID 22161087
2-(4-decylphenyl)-5-[4-(2-fluorononoxy)phenyl]pyrimidine
CID 22161084
5-[4-(2-fluorooctoxy)phenyl]-2-(4-hexylphenyl)pyrimidine
CID 22161253
2-[4-(2-fluorooctoxy)phenyl]-5-(4-undecylphenyl)pyrimidine
CID 54155295
5-[4-(2-fluoroheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine
CID 22161198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine?
The IUPAC name of 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine (CID 54035190) is 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine is CCCCCc1ccc(-c2cnc(-c3ccc(OCC(C)F)cc3)nc2)cc1.
What is the InChIKey of 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine?
The InChIKey is LIKXUUJAPHZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-3-4-5-6-19-7-9-20(10-8-19)22-15-26-24(27-16-22)21-11-13-23(14-12-21)28-17-18(2)25/h7-16,18H,3-6,17H2,1-2H3.
What are the key properties of 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine?
2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine has a molecular weight of 378.49 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoropropoxy)phenyl]-5-(4-pentylphenyl)pyrimidine is sourced from PubChem (CID 54035190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).