2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine

C19H25FN2 — CID 20697846

IUPAC2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine
SMILESCCC(F)CCCCCc1ccc(-c2ncc(C)cn2)cc1
InChIInChI=1S/C19H25FN2/c1-3-18(20)8-6-4-5-7-16-9-11-17(12-10-16)19-21-13-15(2)14-22-19/h9-14,18H,3-8H2,1-2H3
InChIKeyWBMMEBYECXDLKU-UHFFFAOYSA-N
MW300.42 g/mol
LogP5.30
Rot. Bonds8

About 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine

2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine (PubChem CID 20697846) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine
PubChem CID20697846
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine
SMILESCCC(F)CCCCCc1ccc(-c2ncc(C)cn2)cc1
InChIInChI=1S/C19H25FN2/c1-3-18(20)8-6-4-5-7-16-9-11-17(12-10-16)19-21-13-15(2)14-22-19/h9-14,18H,3-8H2,1-2H3
InChIKeyWBMMEBYECXDLKU-UHFFFAOYSA-N
XLogP5.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,7-difluorododecoxy)-2-(4-undecylphenyl)pyrimidine
CID 18697020
5-(3,7-difluorododecoxy)-2-(4-octylphenyl)pyrimidine
CID 18697106
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-decylphenyl)-2-[4-(2-fluorodecoxy)phenyl]pyrimidine
CID 54330983
5-[4-(2-fluoroheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine
CID 22161198
5-[4-(2-fluorododecoxy)phenyl]-2-(4-heptylphenyl)pyrimidine
CID 22161269
5-(9-methylundecyl)-2-(4-undecylphenyl)pyrimidine
CID 139803495
5-(7-methylnonyl)-2-(4-undecylphenyl)pyrimidine
CID 139803515
2-[4-(8-methyldecyl)phenyl]-5-octylpyrimidine
CID 139803510
5-(9-methylundecyl)-2-(4-tridecylphenyl)pyrimidine
CID 139803508

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine?
The IUPAC name of 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine (CID 20697846) is 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine is CCC(F)CCCCCc1ccc(-c2ncc(C)cn2)cc1.
What is the InChIKey of 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine?
The InChIKey is WBMMEBYECXDLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2/c1-3-18(20)8-6-4-5-7-16-9-11-17(12-10-16)19-21-13-15(2)14-22-19/h9-14,18H,3-8H2,1-2H3.
What are the key properties of 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine?
2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine has a molecular weight of 300.42 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluorooctyl)phenyl]-5-methylpyrimidine is sourced from PubChem (CID 20697846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).