4,6-diphenylpyrimidin-2-amine

C16H13N3 — CID 619024

IUPAC4,6-diphenylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
InChIKeyKZUCBEYDRUCBCS-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.39
Rot. Bonds2

About 4,6-diphenylpyrimidin-2-amine

4,6-diphenylpyrimidin-2-amine (PubChem CID 619024) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4,6-diphenylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-diphenylpyrimidin-2-amine
PubChem CID619024
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name4,6-diphenylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
InChIKeyKZUCBEYDRUCBCS-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 4,6-diphenylpyrimidin-2-amine?
The IUPAC name of 4,6-diphenylpyrimidin-2-amine (CID 619024) is 4,6-diphenylpyrimidin-2-amine.
What is the SMILES notation for 4,6-diphenylpyrimidin-2-amine?
The canonical SMILES for 4,6-diphenylpyrimidin-2-amine is Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4,6-diphenylpyrimidin-2-amine?
The InChIKey is KZUCBEYDRUCBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19).
What are the key properties of 4,6-diphenylpyrimidin-2-amine?
4,6-diphenylpyrimidin-2-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 4,6-diphenylpyrimidin-2-amine is sourced from PubChem (CID 619024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).