5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine

C153H145F17N24 — CID 159580370

IUPAC5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine
SMILESCCCCc1cnc(-c2ccc(F)c(F)c2)nc1.CCCCc1cnc(-c2ccc(F)cc2)nc1.CCCc1cnc(-c2ccc(F)c(F)c2)nc1.CCCc1cnc(-c2ccc(F)cc2)nc1.CCCc1cnc(-c2ccc(F)cc2F)nc1.CCCc1cnc(-c2cccc(F)c2)nc1.CCCc1cnc(-c2ccccc2F)nc1.CCc1cnc(-c2ccc(F)c(F)c2)nc1.CCc1cnc(-c2ccc(F)cc2)nc1.CCc1cnc(-c2ccc(F)cc2F)nc1.CCc1cnc(-c2cccc(F)c2)nc1.CCc1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C14H14F2N2.C14H15FN2.2C13H12F2N2.3C13H13FN2.2C12H10F2N2.3C12H11FN2/c1-2-3-4-10-8-17-14(18-9-10)11-5-6-12(15)13(16)7-11;1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(15)8-6-12;1-2-3-9-7-16-13(17-8-9)11-5-4-10(14)6-12(11)15;1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10;1-2-5-10-8-15-13(16-9-10)11-6-3-4-7-12(11)14;1-2-4-10-8-15-13(16-9-10)11-5-3-6-12(14)7-11;1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11;1-2-8-6-15-12(16-7-8)10-4-3-9(13)5-11(10)14;1-2-8-6-15-12(16-7-8)9-3-4-10(13)11(14)5-9;1-2-9-7-14-12(15-8-9)10-3-5-11(13)6-4-10;1-2-9-7-14-12(15-8-9)10-4-3-5-11(13)6-10;1-2-9-7-14-12(15-8-9)10-5-3-4-6-11(10)13/h5-9H,2-4H2,1H3;5-10H,2-4H2,1H3;2*4-8H,2-3H2,1H3;3-4,6-9H,2,5H2,1H3;3,5-9H,2,4H2,1H3;4-9H,2-3H2,1H3;2*3-7H,2H2,1H3;3*3-8H,2H2,1H3
InChIKeyMIYBSLVZMQIXLH-UHFFFAOYSA-N
MW2642.98 g/mol
LogP38.35
Rot. Bonds33

About 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine

5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine (PubChem CID 159580370) has the molecular formula C153H145F17N24 and a molecular weight of 2642.98 g/mol. Its IUPAC name is 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine
PubChem CID159580370
Molecular FormulaC153H145F17N24
Molecular Weight2642.98 g/mol
Exact Mass2641.18
IUPAC Name5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine
SMILESCCCCc1cnc(-c2ccc(F)c(F)c2)nc1.CCCCc1cnc(-c2ccc(F)cc2)nc1.CCCc1cnc(-c2ccc(F)c(F)c2)nc1.CCCc1cnc(-c2ccc(F)cc2)nc1.CCCc1cnc(-c2ccc(F)cc2F)nc1.CCCc1cnc(-c2cccc(F)c2)nc1.CCCc1cnc(-c2ccccc2F)nc1.CCc1cnc(-c2ccc(F)c(F)c2)nc1.CCc1cnc(-c2ccc(F)cc2)nc1.CCc1cnc(-c2ccc(F)cc2F)nc1.CCc1cnc(-c2cccc(F)c2)nc1.CCc1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C14H14F2N2.C14H15FN2.2C13H12F2N2.3C13H13FN2.2C12H10F2N2.3C12H11FN2/c1-2-3-4-10-8-17-14(18-9-10)11-5-6-12(15)13(16)7-11;1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(15)8-6-12;1-2-3-9-7-16-13(17-8-9)11-5-4-10(14)6-12(11)15;1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10;1-2-5-10-8-15-13(16-9-10)11-6-3-4-7-12(11)14;1-2-4-10-8-15-13(16-9-10)11-5-3-6-12(14)7-11;1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11;1-2-8-6-15-12(16-7-8)10-4-3-9(13)5-11(10)14;1-2-8-6-15-12(16-7-8)9-3-4-10(13)11(14)5-9;1-2-9-7-14-12(15-8-9)10-3-5-11(13)6-4-10;1-2-9-7-14-12(15-8-9)10-4-3-5-11(13)6-10;1-2-9-7-14-12(15-8-9)10-5-3-4-6-11(10)13/h5-9H,2-4H2,1H3;5-10H,2-4H2,1H3;2*4-8H,2-3H2,1H3;3-4,6-9H,2,5H2,1H3;3,5-9H,2,4H2,1H3;4-9H,2-3H2,1H3;2*3-7H,2H2,1H3;3*3-8H,2H2,1H3
InChIKeyMIYBSLVZMQIXLH-UHFFFAOYSA-N
XLogP38.35
TPSA309.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002642.98
LogP ≤ 538.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine with MolForge

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Related Compounds

2-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-hexylpyrimidine
CID 20708813
2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine
CID 22131626
2-[3-fluoro-4-(4-heptylphenyl)phenyl]-5-pentylpyrimidine
CID 21270878
2-[3-fluoro-4-(4-pentylphenyl)phenyl]-5-hexylpyrimidine
CID 21271029
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
CID 20708826
2-[4-(4-butyl-2-fluorophenyl)phenyl]-5-heptylpyrimidine
CID 21270877
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene
CID 158516829
2-[4-(2-fluoro-4-heptylphenyl)phenyl]-5-hexylpyrimidine
CID 21270896
2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene
CID 67866294
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
2-[2,3-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-(5-pentylpyrimidin-2-yl)pyrimidine
CID 118593544

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine?
The IUPAC name of 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine (CID 159580370) is 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine.
What is the SMILES notation for 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine?
The canonical SMILES for 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine is CCCCc1cnc(-c2ccc(F)c(F)c2)nc1.CCCCc1cnc(-c2ccc(F)cc2)nc1.CCCc1cnc(-c2ccc(F)c(F)c2)nc1.CCCc1cnc(-c2ccc(F)cc2)nc1.CCCc1cnc(-c2ccc(F)cc2F)nc1.CCCc1cnc(-c2cccc(F)c2)nc1.CCCc1cnc(-c2ccccc2F)nc1.CCc1cnc(-c2ccc(F)c(F)c2)nc1.CCc1cnc(-c2ccc(F)cc2)nc1.CCc1cnc(-c2ccc(F)cc2F)nc1.CCc1cnc(-c2cccc(F)c2)nc1.CCc1cnc(-c2ccccc2F)nc1.
What is the InChIKey of 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine?
The InChIKey is MIYBSLVZMQIXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2.C14H15FN2.2C13H12F2N2.3C13H13FN2.2C12H10F2N2.3C12H11FN2/c1-2-3-4-10-8-17-14(18-9-10)11-5-6-12(15)13(16)7-11;1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(15)8-6-12;1-2-3-9-7-16-13(17-8-9)11-5-4-10(14)6-12(11)15;1-2-3-9-7-16-13(17-8-9)10-4-5-11(14)12(15)6-10;1-2-5-10-8-15-13(16-9-10)11-6-3-4-7-12(11)14;1-2-4-10-8-15-13(16-9-10)11-5-3-6-12(14)7-11;1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11;1-2-8-6-15-12(16-7-8)10-4-3-9(13)5-11(10)14;1-2-8-6-15-12(16-7-8)9-3-4-10(13)11(14)5-9;1-2-9-7-14-12(15-8-9)10-3-5-11(13)6-4-10;1-2-9-7-14-12(15-8-9)10-4-3-5-11(13)6-10;1-2-9-7-14-12(15-8-9)10-5-3-4-6-11(10)13/h5-9H,2-4H2,1H3;5-10H,2-4H2,1H3;2*4-8H,2-3H2,1H3;3-4,6-9H,2,5H2,1H3;3,5-9H,2,4H2,1H3;4-9H,2-3H2,1H3;2*3-7H,2H2,1H3;3*3-8H,2H2,1H3.
What are the key properties of 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine?
5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine has a molecular weight of 2642.98 g/mol, XLogP of 38.35, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(3,4-difluorophenyl)pyrimidine;5-butyl-2-(4-fluorophenyl)pyrimidine;2-(2,4-difluorophenyl)-5-ethylpyrimidine;2-(3,4-difluorophenyl)-5-ethylpyrimidine;2-(2,4-difluorophenyl)-5-propylpyrimidine;2-(3,4-difluorophenyl)-5-propylpyrimidine;5-ethyl-2-(2-fluorophenyl)pyrimidine;5-ethyl-2-(3-fluorophenyl)pyrimidine;5-ethyl-2-(4-fluorophenyl)pyrimidine;2-(2-fluorophenyl)-5-propylpyrimidine;2-(3-fluorophenyl)-5-propylpyrimidine;2-(4-fluorophenyl)-5-propylpyrimidine is sourced from PubChem (CID 159580370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).