N-(3,5-diphenylphenyl)pyrimidin-4-amine

C22H17N3 — CID 177073734

IUPACN-(3,5-diphenylphenyl)pyrimidin-4-amine
SMILESc1ccc(-c2cc(Nc3ccncn3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H17N3/c1-3-7-17(8-4-1)19-13-20(18-9-5-2-6-10-18)15-21(14-19)25-22-11-12-23-16-24-22/h1-16H,(H,23,24,25)
InChIKeyCACZMFFAQIGTTG-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.55
Rot. Bonds4

About N-(3,5-diphenylphenyl)pyrimidin-4-amine

N-(3,5-diphenylphenyl)pyrimidin-4-amine (PubChem CID 177073734) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)pyrimidin-4-amine
PubChem CID177073734
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC NameN-(3,5-diphenylphenyl)pyrimidin-4-amine
SMILESc1ccc(-c2cc(Nc3ccncn3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H17N3/c1-3-7-17(8-4-1)19-13-20(18-9-5-2-6-10-18)15-21(14-19)25-22-11-12-23-16-24-22/h1-16H,(H,23,24,25)
InChIKeyCACZMFFAQIGTTG-UHFFFAOYSA-N
XLogP5.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)pyrimidin-4-amine?
The IUPAC name of N-(3,5-diphenylphenyl)pyrimidin-4-amine (CID 177073734) is N-(3,5-diphenylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)pyrimidin-4-amine is c1ccc(-c2cc(Nc3ccncn3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)pyrimidin-4-amine?
The InChIKey is CACZMFFAQIGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-3-7-17(8-4-1)19-13-20(18-9-5-2-6-10-18)15-21(14-19)25-22-11-12-23-16-24-22/h1-16H,(H,23,24,25).
What are the key properties of N-(3,5-diphenylphenyl)pyrimidin-4-amine?
N-(3,5-diphenylphenyl)pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 177073734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).