4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline

C22H19N5 — CID 1381395

IUPAC4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C22H19N5/c23-17-7-1-14(2-8-17)20-13-21(15-3-9-18(24)10-4-15)27-22(26-20)16-5-11-19(25)12-6-16/h1-13H,23-25H2
InChIKeyOQDMEZSPCAZIQE-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.22
Rot. Bonds3

About 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline

4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline (PubChem CID 1381395) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline.

Molecular Properties

Compound Name4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline
PubChem CID1381395
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C22H19N5/c23-17-7-1-14(2-8-17)20-13-21(15-3-9-18(24)10-4-15)27-22(26-20)16-5-11-19(25)12-6-16/h1-13H,23-25H2
InChIKeyOQDMEZSPCAZIQE-UHFFFAOYSA-N
XLogP4.22
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline?
The IUPAC name of 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline (CID 1381395) is 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline.
What is the SMILES notation for 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline?
The canonical SMILES for 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline is Nc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccc(N)cc3)n2)cc1.
What is the InChIKey of 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline?
The InChIKey is OQDMEZSPCAZIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c23-17-7-1-14(2-8-17)20-13-21(15-3-9-18(24)10-4-15)27-22(26-20)16-5-11-19(25)12-6-16/h1-13H,23-25H2.
What are the key properties of 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline?
4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline has a molecular weight of 353.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]aniline is sourced from PubChem (CID 1381395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).