4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine

C16H15BrN4 — CID 64587901

IUPAC4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
SMILESCN(Cc1ccc(Br)cc1)c1ncnc2ccc(N)cc12
InChIInChI=1S/C16H15BrN4/c1-21(9-11-2-4-12(17)5-3-11)16-14-8-13(18)6-7-15(14)19-10-20-16/h2-8,10H,9,18H2,1H3
InChIKeyWNWKGRIILQBYPJ-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.61
Rot. Bonds3

About 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine

4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine (PubChem CID 64587901) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
PubChem CID64587901
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
SMILESCN(Cc1ccc(Br)cc1)c1ncnc2ccc(N)cc12
InChIInChI=1S/C16H15BrN4/c1-21(9-11-2-4-12(17)5-3-11)16-14-8-13(18)6-7-15(14)19-10-20-16/h2-8,10H,9,18H2,1H3
InChIKeyWNWKGRIILQBYPJ-UHFFFAOYSA-N
XLogP3.61
TPSA55.04 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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]quinazoline-4,6-diamine
CID 64589688
N-[(4-aminophenyl)methyl]-5-bromo-N-methylpyrimidin-4-amine
CID 66319954
4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine
CID 64587906
6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171691676
4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine
CID 64588086
N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894555
4-N-methyl-4-N-(4-methylphenyl)quinazoline-4,6-diamine
CID 64587921
3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile
CID 133370502
2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 64588093
6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
CID 61415486
N-[(4-bromophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66340839
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80765009

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine?
The IUPAC name of 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine (CID 64587901) is 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine is CN(Cc1ccc(Br)cc1)c1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine?
The InChIKey is WNWKGRIILQBYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-21(9-11-2-4-12(17)5-3-11)16-14-8-13(18)6-7-15(14)19-10-20-16/h2-8,10H,9,18H2,1H3.
What are the key properties of 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine?
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine has a molecular weight of 343.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine is sourced from PubChem (CID 64587901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).