2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine

C19H17FN2 — CID 22131626

IUPAC2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccccc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H17FN2/c1-2-5-14-12-21-19(22-13-14)18-7-4-3-6-17(18)15-8-10-16(20)11-9-15/h3-4,6-13H,2,5H2,1H3
InChIKeyBPJCMGDNXMUJOI-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.90
Rot. Bonds4

About 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine

2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine (PubChem CID 22131626) has the molecular formula C19H17FN2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine
PubChem CID22131626
Molecular FormulaC19H17FN2
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccccc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H17FN2/c1-2-5-14-12-21-19(22-13-14)18-7-4-3-6-17(18)15-8-10-16(20)11-9-15/h3-4,6-13H,2,5H2,1H3
InChIKeyBPJCMGDNXMUJOI-UHFFFAOYSA-N
XLogP4.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine
CID 56712109
2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 23179827
2-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-hexylpyrimidine
CID 20708813
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
2-(2-hexoxyphenyl)-5-octylpyrimidine
CID 19840010
2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-propylpyrimidine
CID 67732794
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
CID 20708826
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
1-fluoro-4-propylbenzene
CID 2737505
[4-[2-(5-hexylpyrimidin-2-yl)phenyl]phenyl] 2-fluoro-2-methylheptanoate
CID 139639893
[4-[2-(5-butylpyrimidin-2-yl)phenyl]phenyl] 2-fluoro-2-methylnonanoate
CID 139639845
[4-[2-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 2-fluoro-2-methyldecanoate
CID 139639871

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine?
The IUPAC name of 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine (CID 22131626) is 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine?
The canonical SMILES for 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine is CCCc1cnc(-c2ccccc2-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine?
The InChIKey is BPJCMGDNXMUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2/c1-2-5-14-12-21-19(22-13-14)18-7-4-3-6-17(18)15-8-10-16(20)11-9-15/h3-4,6-13H,2,5H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine?
2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine has a molecular weight of 292.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine is sourced from PubChem (CID 22131626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).