2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine

C20H17F3N2 — CID 20708826

IUPAC2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(-c3cc(F)c(C)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C20H17F3N2/c1-3-4-13-10-24-20(25-11-13)14-5-6-16(19(23)7-14)15-8-17(21)12(2)18(22)9-15/h5-11H,3-4H2,1-2H3
InChIKeyMXSGYVULSOTYBZ-UHFFFAOYSA-N
MW342.36 g/mol
LogP5.49
Rot. Bonds4

About 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine

2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine (PubChem CID 20708826) has the molecular formula C20H17F3N2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
PubChem CID20708826
Molecular FormulaC20H17F3N2
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(-c3cc(F)c(C)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C20H17F3N2/c1-3-4-13-10-24-20(25-11-13)14-5-6-16(19(23)7-14)15-8-17(21)12(2)18(22)9-15/h5-11H,3-4H2,1-2H3
InChIKeyMXSGYVULSOTYBZ-UHFFFAOYSA-N
XLogP5.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-4-(4-heptylphenyl)phenyl]-5-pentylpyrimidine
CID 21270878
2-[3-fluoro-4-(4-pentylphenyl)phenyl]-5-hexylpyrimidine
CID 21271029
2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 23179827
2-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-hexylpyrimidine
CID 20708813
2-[4-(3,5-difluoro-4-methylphenyl)-3,5-difluorophenyl]-5-heptylpyrimidine
CID 20708824
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-methylpyrimidine
CID 71024195
2-[4-(2-fluoro-4-heptylphenyl)phenyl]-5-hexylpyrimidine
CID 21270896
2-[4-(4-butyl-2-fluorophenyl)phenyl]-5-heptylpyrimidine
CID 21270877
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
2-(3-fluoro-4-heptylphenyl)-5-octylpyrimidine
CID 21270948
2-[2,3-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-(5-pentylpyrimidin-2-yl)pyrimidine
CID 118593544
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine?
The IUPAC name of 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine (CID 20708826) is 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine?
The canonical SMILES for 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine is CCCc1cnc(-c2ccc(-c3cc(F)c(C)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine?
The InChIKey is MXSGYVULSOTYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2/c1-3-4-13-10-24-20(25-11-13)14-5-6-16(19(23)7-14)15-8-17(21)12(2)18(22)9-15/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine?
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine has a molecular weight of 342.36 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine is sourced from PubChem (CID 20708826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).