5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine

C10H7Br2FN4 — CID 107639334

IUPAC5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C10H7Br2FN4/c11-6-2-1-5(13)3-8(6)16-9-7(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyZTCFZGWELSZTNP-UHFFFAOYSA-N
MW362.00 g/mol
LogP3.47
Rot. Bonds2

About 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine

5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 107639334) has the molecular formula C10H7Br2FN4 and a molecular weight of 362.00 g/mol. Its IUPAC name is 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID107639334
Molecular FormulaC10H7Br2FN4
Molecular Weight362.00 g/mol
Exact Mass359.90
IUPAC Name5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C10H7Br2FN4/c11-6-2-1-5(13)3-8(6)16-9-7(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyZTCFZGWELSZTNP-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.00
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-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

5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine
CID 114261712
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125
4-N-(2-bromo-5-fluorophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 107639327
5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647123
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-bromobenzonitrile
CID 107795143
3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine
CID 107634583
5-bromo-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80797339
5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107637898
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107639591
2-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841595

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine (CID 107639334) is 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine is Nc1ncc(Br)c(Nc2cc(F)ccc2Br)n1.
What is the InChIKey of 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is ZTCFZGWELSZTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2FN4/c11-6-2-1-5(13)3-8(6)16-9-7(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17).
What are the key properties of 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 362.00 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107639334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).