5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine

C16H14BrN5 — CID 156557082

IUPAC5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2c(Br)cccc21
InChIInChI=1S/C16H14BrN5/c1-21(11-6-3-2-4-7-11)15-14-12(17)8-5-9-13(14)22(10-18)16(19)20-15/h2-10,18-19H,1H3/b18-10+,19-16+
InChIKeyRJNMJIVVJZSXDJ-MXVZNEBHSA-N
MW356.23 g/mol
LogP3.50
Rot. Bonds3

About 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine

5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine (PubChem CID 156557082) has the molecular formula C16H14BrN5 and a molecular weight of 356.23 g/mol. Its IUPAC name is 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
PubChem CID156557082
Molecular FormulaC16H14BrN5
Molecular Weight356.23 g/mol
Exact Mass355.04
IUPAC Name5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
SMILES[H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2c(Br)cccc21
InChIInChI=1S/C16H14BrN5/c1-21(11-6-3-2-4-7-11)15-14-12(17)8-5-9-13(14)22(10-18)16(19)20-15/h2-10,18-19H,1H3/b18-10+,19-16+
InChIKeyRJNMJIVVJZSXDJ-MXVZNEBHSA-N
XLogP3.50
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-imino-1-methanimidoyl-7-methoxy-N-methyl-N-phenylquinazolin-4-amine
CID 156557254
6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine
CID 165380268
2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine
CID 165380349
2-imino-1-methanimidoyl-N-methyl-N-phenyl-7-(2-phenylethynyl)quinazolin-4-amine
CID 165380633
7-ethynyl-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
CID 165380547
2-imino-1-methanimidoyl-N-methyl-N-phenyl-6-pyridin-4-ylquinazolin-4-amine
CID 156557085
2-imino-1-methanimidoyl-4-N-methyl-4-N-(3-phenylphenyl)quinazoline-4,7-diamine
CID 156800502
3-[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]prop-2-yn-1-ol
CID 165380711
2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol
CID 156557084
7-bromo-N-[3-(4-tert-butylphenyl)phenyl]-2-imino-1-methanimidoyl-N-methylquinazolin-4-amine
CID 165380279
7-chloro-2-imino-1-methanimidoyl-N-methyl-N-[3-(4-propan-2-ylphenyl)phenyl]quinazolin-4-amine
CID 165380685
N-[3-(4-cyclopropylphenyl)phenyl]-6-fluoro-2-imino-1-methanimidoyl-N-methylquinazolin-4-amine
CID 165380741

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine?
The IUPAC name of 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine (CID 156557082) is 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine.
What is the SMILES notation for 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine?
The canonical SMILES for 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine is [H]/N=C/n1/c(=N/[H])nc(N(C)c2ccccc2)c2c(Br)cccc21.
What is the InChIKey of 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine?
The InChIKey is RJNMJIVVJZSXDJ-MXVZNEBHSA-N. The full InChI is InChI=1S/C16H14BrN5/c1-21(11-6-3-2-4-7-11)15-14-12(17)8-5-9-13(14)22(10-18)16(19)20-15/h2-10,18-19H,1H3/b18-10+,19-16+.
What are the key properties of 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine?
5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine has a molecular weight of 356.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine is sourced from PubChem (CID 156557082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).