N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine

C21H14F2N4 — CID 70789681

IUPACN-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESFc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccncc3)n2)cc1F
InChIInChI=1S/C21H14F2N4/c22-17-7-6-16(12-18(17)23)25-20-13-19(14-4-2-1-3-5-14)26-21(27-20)15-8-10-24-11-9-15/h1-13H,(H,25,26,27)
InChIKeyOCNMIAVAIFSGAW-UHFFFAOYSA-N
MW360.37 g/mol
LogP5.23
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine

N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 70789681) has the molecular formula C21H14F2N4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID70789681
Molecular FormulaC21H14F2N4
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESFc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccncc3)n2)cc1F
InChIInChI=1S/C21H14F2N4/c22-17-7-6-16(12-18(17)23)25-20-13-19(14-4-2-1-3-5-14)26-21(27-20)15-8-10-24-11-9-15/h1-13H,(H,25,26,27)
InChIKeyOCNMIAVAIFSGAW-UHFFFAOYSA-N
XLogP5.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.37
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine (CID 70789681) is N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine is Fc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccncc3)n2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is OCNMIAVAIFSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4/c22-17-7-6-16(12-18(17)23)25-20-13-19(14-4-2-1-3-5-14)26-21(27-20)15-8-10-24-11-9-15/h1-13H,(H,25,26,27).
What are the key properties of N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine?
N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 360.37 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 70789681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).