5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine

C21H18F4N2 — CID 19380596

IUPAC5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine
SMILESCCCCCc1cc(F)c(-c2cnc(-c3cc(F)cc(F)c3)nc2)c(F)c1
InChIInChI=1S/C21H18F4N2/c1-2-3-4-5-13-6-18(24)20(19(25)7-13)15-11-26-21(27-12-15)14-8-16(22)10-17(23)9-14/h6-12H,2-5H2,1H3
InChIKeyNRLGJDSGJGLEGB-UHFFFAOYSA-N
MW374.38 g/mol
LogP6.10
Rot. Bonds6

About 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine

5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine (PubChem CID 19380596) has the molecular formula C21H18F4N2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine.

Molecular Properties

Compound Name5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine
PubChem CID19380596
Molecular FormulaC21H18F4N2
Molecular Weight374.38 g/mol
Exact Mass374.14
IUPAC Name5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine
SMILESCCCCCc1cc(F)c(-c2cnc(-c3cc(F)cc(F)c3)nc2)c(F)c1
InChIInChI=1S/C21H18F4N2/c1-2-3-4-5-13-6-18(24)20(19(25)7-13)15-11-26-21(27-12-15)14-8-16(22)10-17(23)9-14/h6-12H,2-5H2,1H3
InChIKeyNRLGJDSGJGLEGB-UHFFFAOYSA-N
XLogP6.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.38
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)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

2-[4-(3,5-difluoro-4-methylphenyl)-3,5-difluorophenyl]-5-heptylpyrimidine
CID 20708824
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenyl]-5-pentylpyrimidine
CID 118501440
2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
CID 22089512
5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine
CID 20708926
2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-pentylpyrimidine
CID 18348269
2-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-hexylpyrimidine
CID 20708813
4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,5-difluorobenzonitrile
CID 19380602
2-[4-(2-fluoro-4-heptylphenyl)phenyl]-5-hexylpyrimidine
CID 21270896
4-[5-(4-decylphenyl)pyrimidin-2-yl]-2,6-difluorobenzonitrile
CID 14618825
2-[2,3-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-(5-pentylpyrimidin-2-yl)pyrimidine
CID 118593544
2-[4-(4-butyl-2-fluorophenyl)phenyl]-5-heptylpyrimidine
CID 21270877
2-(3-fluoro-4-pentylphenyl)-5-(4-heptylphenyl)pyrimidine
CID 21270905

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine?
The IUPAC name of 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine (CID 19380596) is 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine.
What is the SMILES notation for 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine?
The canonical SMILES for 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine is CCCCCc1cc(F)c(-c2cnc(-c3cc(F)cc(F)c3)nc2)c(F)c1.
What is the InChIKey of 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine?
The InChIKey is NRLGJDSGJGLEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2/c1-2-3-4-5-13-6-18(24)20(19(25)7-13)15-11-26-21(27-12-15)14-8-16(22)10-17(23)9-14/h6-12H,2-5H2,1H3.
What are the key properties of 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine?
5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine has a molecular weight of 374.38 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine is sourced from PubChem (CID 19380596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).