2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine

C27H40F2N2 — CID 22370325

IUPAC2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine
SMILESCCCCCCCCCCc1ccc(-c2ncc(CCCCCC(C)F)cn2)cc1F
InChIInChI=1S/C27H40F2N2/c1-3-4-5-6-7-8-9-13-16-24-17-18-25(19-26(24)29)27-30-20-23(21-31-27)15-12-10-11-14-22(2)28/h17-22H,3-16H2,1-2H3
InChIKeyPDMHRDAUJMWDQY-UHFFFAOYSA-N
MW430.63 g/mol
LogP8.43
Rot. Bonds16

About 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine

2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine (PubChem CID 22370325) has the molecular formula C27H40F2N2 and a molecular weight of 430.63 g/mol. Its IUPAC name is 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine.

Molecular Properties

Compound Name2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine
PubChem CID22370325
Molecular FormulaC27H40F2N2
Molecular Weight430.63 g/mol
Exact Mass430.32
IUPAC Name2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine
SMILESCCCCCCCCCCc1ccc(-c2ncc(CCCCCC(C)F)cn2)cc1F
InChIInChI=1S/C27H40F2N2/c1-3-4-5-6-7-8-9-13-16-24-17-18-25(19-26(24)29)27-30-20-23(21-31-27)15-12-10-11-14-22(2)28/h17-22H,3-16H2,1-2H3
InChIKeyPDMHRDAUJMWDQY-UHFFFAOYSA-N
XLogP8.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine 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-decyl-2-[3-fluoro-4-(5-fluorohexyl)phenyl]pyrimidine
CID 21197056
2-(3-fluoro-4-heptylphenyl)-5-octylpyrimidine
CID 21270948
2-(4-butyl-3-fluorophenyl)-5-hexylpyrimidine
CID 21270967
5-decoxy-2-[3-fluoro-4-(4-fluoropentyl)phenyl]pyrimidine
CID 21197143
5-(5-fluorohexyl)-2-(3-fluoro-4-nonoxyphenyl)pyrimidine
CID 21197044
2-(3-fluoro-4-pentylphenyl)-5-(4-heptylphenyl)pyrimidine
CID 21270905
2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine
CID 139691675
2-[4-(4-fluoropentyl)phenyl]-5-octylpyrimidine
CID 139691673
2-(4-decoxyphenyl)-5-(5-fluorohexyl)pyrimidine
CID 139691650
2-(4-decyl-2,3-difluorophenyl)-5-(5-fluorohexyl)pyrimidine
CID 21197036
2-[4-(3-fluorobutoxy)phenyl]-5-hexylpyrimidine
CID 19380613
2-[3-fluoro-4-(3-fluoroundecoxy)phenyl]-5-hexylpyrimidine
CID 19380741

Frequently Asked Questions

What is the IUPAC name of 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine?
The IUPAC name of 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine (CID 22370325) is 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine.
What is the SMILES notation for 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine?
The canonical SMILES for 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine is CCCCCCCCCCc1ccc(-c2ncc(CCCCCC(C)F)cn2)cc1F.
What is the InChIKey of 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine?
The InChIKey is PDMHRDAUJMWDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40F2N2/c1-3-4-5-6-7-8-9-13-16-24-17-18-25(19-26(24)29)27-30-20-23(21-31-27)15-12-10-11-14-22(2)28/h17-22H,3-16H2,1-2H3.
What are the key properties of 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine?
2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine has a molecular weight of 430.63 g/mol, XLogP of 8.43, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine is sourced from PubChem (CID 22370325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).