6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine

C23H21BrN4 — CID 166629748

IUPAC6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCC(C)c1ccccc1-c1nc(NCc2ccccn2)c2cc(Br)ccc2n1
InChIInChI=1S/C23H21BrN4/c1-15(2)18-8-3-4-9-19(18)23-27-21-11-10-16(24)13-20(21)22(28-23)26-14-17-7-5-6-12-25-17/h3-13,15H,14H2,1-2H3,(H,26,27,28)
InChIKeyIGDFRIZPUIBTAB-UHFFFAOYSA-N
MW433.35 g/mol
LogP6.19
Rot. Bonds5

About 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine

6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 166629748) has the molecular formula C23H21BrN4 and a molecular weight of 433.35 g/mol. Its IUPAC name is 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID166629748
Molecular FormulaC23H21BrN4
Molecular Weight433.35 g/mol
Exact Mass432.09
IUPAC Name6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCC(C)c1ccccc1-c1nc(NCc2ccccn2)c2cc(Br)ccc2n1
InChIInChI=1S/C23H21BrN4/c1-15(2)18-8-3-4-9-19(18)23-27-21-11-10-16(24)13-20(21)22(28-23)26-14-17-7-5-6-12-25-17/h3-13,15H,14H2,1-2H3,(H,26,27,28)
InChIKeyIGDFRIZPUIBTAB-UHFFFAOYSA-N
XLogP6.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 166629748) is 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine is CC(C)c1ccccc1-c1nc(NCc2ccccn2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is IGDFRIZPUIBTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4/c1-15(2)18-8-3-4-9-19(18)23-27-21-11-10-16(24)13-20(21)22(28-23)26-14-17-7-5-6-12-25-17/h3-13,15H,14H2,1-2H3,(H,26,27,28).
What are the key properties of 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 433.35 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 166629748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).