4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C20H11F4N5 — CID 3395887

IUPAC4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFc1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3)ncc2-c2ccncn2)cc1
InChIInChI=1S/C20H11F4N5/c21-14-4-1-12(2-5-14)18-15(16-7-8-25-11-28-16)10-27-19(29-18)13-3-6-17(26-9-13)20(22,23)24/h1-11H
InChIKeySZTKMGQUMLRWQZ-UHFFFAOYSA-N
MW397.34 g/mol
LogP4.82
Rot. Bonds3

About 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 3395887) has the molecular formula C20H11F4N5 and a molecular weight of 397.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID3395887
Molecular FormulaC20H11F4N5
Molecular Weight397.34 g/mol
Exact Mass397.10
IUPAC Name4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFc1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3)ncc2-c2ccncn2)cc1
InChIInChI=1S/C20H11F4N5/c21-14-4-1-12(2-5-14)18-15(16-7-8-25-11-28-16)10-27-19(29-18)13-3-6-17(26-9-13)20(22,23)24/h1-11H
InChIKeySZTKMGQUMLRWQZ-UHFFFAOYSA-N
XLogP4.82
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 3395887) is 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is Fc1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3)ncc2-c2ccncn2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is SZTKMGQUMLRWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4N5/c21-14-4-1-12(2-5-14)18-15(16-7-8-25-11-28-16)10-27-19(29-18)13-3-6-17(26-9-13)20(22,23)24/h1-11H.
What are the key properties of 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 397.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 3395887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).