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

C15H13BrN4 — CID 5328203

IUPAC4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine
SMILESCNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C15H13BrN4/c1-17-11-5-6-14-13(8-11)15(19-9-18-14)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
InChIKeyKFBKCZIAECRELC-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.18
Rot. Bonds3

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

4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine (PubChem CID 5328203) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine
PubChem CID5328203
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine
SMILESCNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C15H13BrN4/c1-17-11-5-6-14-13(8-11)15(19-9-18-14)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
InChIKeyKFBKCZIAECRELC-UHFFFAOYSA-N
XLogP4.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.18
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-methylquinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine (CID 5328203) is 4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine is CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine?
The InChIKey is KFBKCZIAECRELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-17-11-5-6-14-13(8-11)15(19-9-18-14)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20).
What are the key properties of 4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine?
4-N-(3-bromophenyl)-6-N-methylquinazoline-4,6-diamine has a molecular weight of 329.20 g/mol, XLogP of 4.18, 3 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-methylquinazoline-4,6-diamine is sourced from PubChem (CID 5328203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).