4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine

C15H13BrN4O — CID 80829921

IUPAC4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(Br)c(Nc2nc(N)nc3ccccc23)c1
InChIInChI=1S/C15H13BrN4O/c1-21-9-6-7-11(16)13(8-9)18-14-10-4-2-3-5-12(10)19-15(17)20-14/h2-8H,1H3,(H3,17,18,19,20)
InChIKeyLEBLFPANGFILPK-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.73
Rot. Bonds3

About 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine

4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine (PubChem CID 80829921) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine
PubChem CID80829921
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(Br)c(Nc2nc(N)nc3ccccc23)c1
InChIInChI=1S/C15H13BrN4O/c1-21-9-6-7-11(16)13(8-9)18-14-10-4-2-3-5-12(10)19-15(17)20-14/h2-8H,1H3,(H3,17,18,19,20)
InChIKeyLEBLFPANGFILPK-UHFFFAOYSA-N
XLogP3.73
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine
CID 80846775
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851
4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine
CID 80843172
3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
CID 79918834
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine
CID 80761965
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
2-N-(2-bromo-5-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830555
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
N-(2-bromo-5-methoxyphenyl)-5-methoxyquinazolin-4-amine;hydrochloride
CID 22140737
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine (CID 80829921) is 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine is COc1ccc(Br)c(Nc2nc(N)nc3ccccc23)c1.
What is the InChIKey of 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is LEBLFPANGFILPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-21-9-6-7-11(16)13(8-9)18-14-10-4-2-3-5-12(10)19-15(17)20-14/h2-8H,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine?
4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 345.20 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80829921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).