2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine

C22H17N3 — CID 138714829

IUPAC2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
SMILESNc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H17N3/c23-21-15-20(24-22(25-21)17-10-5-2-6-11-17)19-13-7-12-18(14-19)16-8-3-1-4-9-16/h1-15H,(H2,23,24,25)
InChIKeyKXXZWYIIYOOCPH-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.06
Rot. Bonds3

About 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine

2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine (PubChem CID 138714829) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
PubChem CID138714829
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
SMILESNc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H17N3/c23-21-15-20(24-22(25-21)17-10-5-2-6-11-17)19-13-7-12-18(14-19)16-8-3-1-4-9-16/h1-15H,(H2,23,24,25)
InChIKeyKXXZWYIIYOOCPH-UHFFFAOYSA-N
XLogP5.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
6-(3,5-dimethylphenyl)-2-phenylpyrimidin-4-amine
CID 115915041
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265
2-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-[3-[3-[6-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 134447606
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163630452
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine (CID 138714829) is 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine is Nc1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine?
The InChIKey is KXXZWYIIYOOCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c23-21-15-20(24-22(25-21)17-10-5-2-6-11-17)19-13-7-12-18(14-19)16-8-3-1-4-9-16/h1-15H,(H2,23,24,25).
What are the key properties of 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine?
2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 138714829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).