4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine

C23H21BrN4 — CID 11270441

IUPAC4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine
SMILESCc1ccc(C)c(CNc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1
InChIInChI=1S/C23H21BrN4/c1-15-6-7-16(2)17(10-15)13-25-19-8-9-22-21(12-19)23(27-14-26-22)28-20-5-3-4-18(24)11-20/h3-12,14,25H,13H2,1-2H3,(H,26,27,28)
InChIKeyAFJMLEHBQKPCMI-UHFFFAOYSA-N
MW433.35 g/mol
LogP6.36
Rot. Bonds5

About 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine

4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine (PubChem CID 11270441) has the molecular formula C23H21BrN4 and a molecular weight of 433.35 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine
PubChem CID11270441
Molecular FormulaC23H21BrN4
Molecular Weight433.35 g/mol
Exact Mass432.09
IUPAC Name4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine
SMILESCc1ccc(C)c(CNc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1
InChIInChI=1S/C23H21BrN4/c1-15-6-7-16(2)17(10-15)13-25-19-8-9-22-21(12-19)23(27-14-26-22)28-20-5-3-4-18(24)11-20/h3-12,14,25H,13H2,1-2H3,(H,26,27,28)
InChIKeyAFJMLEHBQKPCMI-UHFFFAOYSA-N
XLogP6.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine (CID 11270441) is 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine is Cc1ccc(C)c(CNc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine?
The InChIKey is AFJMLEHBQKPCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4/c1-15-6-7-16(2)17(10-15)13-25-19-8-9-22-21(12-19)23(27-14-26-22)28-20-5-3-4-18(24)11-20/h3-12,14,25H,13H2,1-2H3,(H,26,27,28).
What are the key properties of 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine?
4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine has a molecular weight of 433.35 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine is sourced from PubChem (CID 11270441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).