2,6-diphenylpyrimidin-4-amine

C16H13N3 — CID 619020

IUPAC2,6-diphenylpyrimidin-4-amine
SMILESNc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
InChIKeyPLXFRDQUOPPVHF-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.39
Rot. Bonds2

About 2,6-diphenylpyrimidin-4-amine

2,6-diphenylpyrimidin-4-amine (PubChem CID 619020) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-diphenylpyrimidin-4-amine
PubChem CID619020
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2,6-diphenylpyrimidin-4-amine
SMILESNc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
InChIKeyPLXFRDQUOPPVHF-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylpyrimidin-4-amine?
The IUPAC name of 2,6-diphenylpyrimidin-4-amine (CID 619020) is 2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for 2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for 2,6-diphenylpyrimidin-4-amine is Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2,6-diphenylpyrimidin-4-amine?
The InChIKey is PLXFRDQUOPPVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19).
What are the key properties of 2,6-diphenylpyrimidin-4-amine?
2,6-diphenylpyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 619020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).