4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine

C16H15BrN4 — CID 5328204

IUPAC4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine
SMILESCN(C)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C16H15BrN4/c1-21(2)13-6-7-15-14(9-13)16(19-10-18-15)20-12-5-3-4-11(17)8-12/h3-10H,1-2H3,(H,18,19,20)
InChIKeyBNMOXMJDRLQWOW-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.20
Rot. Bonds3

About 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine

4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine (PubChem CID 5328204) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine
PubChem CID5328204
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine
SMILESCN(C)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C16H15BrN4/c1-21(2)13-6-7-15-14(9-13)16(19-10-18-15)20-12-5-3-4-11(17)8-12/h3-10H,1-2H3,(H,18,19,20)
InChIKeyBNMOXMJDRLQWOW-UHFFFAOYSA-N
XLogP4.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine (CID 5328204) is 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine is CN(C)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine?
The InChIKey is BNMOXMJDRLQWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-21(2)13-6-7-15-14(9-13)16(19-10-18-15)20-12-5-3-4-11(17)8-12/h3-10H,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine?
4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine has a molecular weight of 343.23 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N,6-N-dimethylquinazoline-4,6-diamine is sourced from PubChem (CID 5328204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).