6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine

C17H15BrFN5 — CID 19144523

IUPAC6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCN(c1ccccc1)c1ncnc(Nc2ccc(Br)cc2F)c1N
InChIInChI=1S/C17H15BrFN5/c1-24(12-5-3-2-4-6-12)17-15(20)16(21-10-22-17)23-14-8-7-11(18)9-13(14)19/h2-10H,20H2,1H3,(H,21,22,23)
InChIKeyVVWGOODFADNMFM-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.47
Rot. Bonds4

About 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine

6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 19144523) has the molecular formula C17H15BrFN5 and a molecular weight of 388.24 g/mol. Its IUPAC name is 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
PubChem CID19144523
Molecular FormulaC17H15BrFN5
Molecular Weight388.24 g/mol
Exact Mass387.05
IUPAC Name6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCN(c1ccccc1)c1ncnc(Nc2ccc(Br)cc2F)c1N
InChIInChI=1S/C17H15BrFN5/c1-24(12-5-3-2-4-6-12)17-15(20)16(21-10-22-17)23-14-8-7-11(18)9-13(14)19/h2-10H,20H2,1H3,(H,21,22,23)
InChIKeyVVWGOODFADNMFM-UHFFFAOYSA-N
XLogP4.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine 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

6-N-(2,4-difluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144545
6-N-(2,4-dichlorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144482
6-N-(4-bromo-2-fluorophenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141027
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144474
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22543522
N'-[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152310
4-N-(4-bromo-2-fluorophenyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144940
4-N-(4-bromo-2-fluorophenyl)-6-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152905
1-[3-[[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547511

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine (CID 19144523) is 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine is CN(c1ccccc1)c1ncnc(Nc2ccc(Br)cc2F)c1N.
What is the InChIKey of 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is VVWGOODFADNMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN5/c1-24(12-5-3-2-4-6-12)17-15(20)16(21-10-22-17)23-14-8-7-11(18)9-13(14)19/h2-10H,20H2,1H3,(H,21,22,23).
What are the key properties of 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 388.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).