4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine

C20H15F2N3 — CID 166175206

IUPAC4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine
SMILESNc1nc(C=Cc2ccc(F)cc2)cc(C=Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H15F2N3/c21-16-7-1-14(2-8-16)5-11-18-13-19(25-20(23)24-18)12-6-15-3-9-17(22)10-4-15/h1-13H,(H2,23,24,25)
InChIKeyNGPZGSZSSUPFMP-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.68
Rot. Bonds4

About 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine

4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine (PubChem CID 166175206) has the molecular formula C20H15F2N3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine
PubChem CID166175206
Molecular FormulaC20H15F2N3
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine
SMILESNc1nc(C=Cc2ccc(F)cc2)cc(C=Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H15F2N3/c21-16-7-1-14(2-8-16)5-11-18-13-19(25-20(23)24-18)12-6-15-3-9-17(22)10-4-15/h1-13H,(H2,23,24,25)
InChIKeyNGPZGSZSSUPFMP-UHFFFAOYSA-N
XLogP4.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine (CID 166175206) is 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine is Nc1nc(C=Cc2ccc(F)cc2)cc(C=Cc2ccc(F)cc2)n1.
What is the InChIKey of 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine?
The InChIKey is NGPZGSZSSUPFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3/c21-16-7-1-14(2-8-16)5-11-18-13-19(25-20(23)24-18)12-6-15-3-9-17(22)10-4-15/h1-13H,(H2,23,24,25).
What are the key properties of 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine?
4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine has a molecular weight of 335.36 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[2-(4-fluorophenyl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 166175206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).