5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine

C23H18F2N4 — CID 23000432

IUPAC5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESFc1ccc(CCNc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C23H18F2N4/c24-19-5-1-16(2-6-19)9-14-27-23-28-15-21(17-3-7-20(25)8-4-17)22(29-23)18-10-12-26-13-11-18/h1-8,10-13,15H,9,14H2,(H,27,28,29)
InChIKeyMVEFUUAXUGCKDO-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.14
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine

5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 23000432) has the molecular formula C23H18F2N4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID23000432
Molecular FormulaC23H18F2N4
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESFc1ccc(CCNc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C23H18F2N4/c24-19-5-1-16(2-6-19)9-14-27-23-28-15-21(17-3-7-20(25)8-4-17)22(29-23)18-10-12-26-13-11-18/h1-8,10-13,15H,9,14H2,(H,27,28,29)
InChIKeyMVEFUUAXUGCKDO-UHFFFAOYSA-N
XLogP5.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine (CID 23000432) is 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine is Fc1ccc(CCNc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is MVEFUUAXUGCKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4/c24-19-5-1-16(2-6-19)9-14-27-23-28-15-21(17-3-7-20(25)8-4-17)22(29-23)18-10-12-26-13-11-18/h1-8,10-13,15H,9,14H2,(H,27,28,29).
What are the key properties of 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine?
5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 388.42 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 23000432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).