2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine

C19H15F4N3O — CID 90240743

IUPAC2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine
SMILESCCCc1cnc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)nc1
InChIInChI=1S/C19H15F4N3O/c1-2-3-12-9-25-18(26-10-12)14-8-16(20)17(24-11-14)13-4-6-15(7-5-13)27-19(21,22)23/h4-11H,2-3H2,1H3
InChIKeyFCVMPYXATHXPIH-UHFFFAOYSA-N
MW377.34 g/mol
LogP5.20
Rot. Bonds5

About 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine

2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine (PubChem CID 90240743) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine
PubChem CID90240743
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC Name2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine
SMILESCCCc1cnc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)nc1
InChIInChI=1S/C19H15F4N3O/c1-2-3-12-9-25-18(26-10-12)14-8-16(20)17(24-11-14)13-4-6-15(7-5-13)27-19(21,22)23/h4-11H,2-3H2,1H3
InChIKeyFCVMPYXATHXPIH-UHFFFAOYSA-N
XLogP5.20
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-octyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]pyrimidine
CID 19436226
2-[3-fluoro-5-prop-2-enyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-5-propylpyrimidine
CID 139825322
bis(2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine);tris(3-fluoro-2-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyridine);3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine;tris(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
CID 159653955
2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 23179827
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
CID 20708826
2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-pentylpyrimidine
CID 18348269
2-(4-ethoxyphenyl)-5-propylpyrimidine
CID 18702636
2-[4-[[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyrimidine
CID 58383412
3-fluoro-2-(4-octoxyphenyl)-5-octylpyridine
CID 19387529
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
5-hexyl-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidine;5-octyl-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidine
CID 88635473
2-[4-[difluoro-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenoxy]methyl]phenyl]-5-pentylpyrimidine
CID 58383520

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine?
The IUPAC name of 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine (CID 90240743) is 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine?
The canonical SMILES for 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine is CCCc1cnc(-c2cnc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)nc1.
What is the InChIKey of 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine?
The InChIKey is FCVMPYXATHXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O/c1-2-3-12-9-25-18(26-10-12)14-8-16(20)17(24-11-14)13-4-6-15(7-5-13)27-19(21,22)23/h4-11H,2-3H2,1H3.
What are the key properties of 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine?
2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine has a molecular weight of 377.34 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine is sourced from PubChem (CID 90240743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).