6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine

C16H11BrF3N5 — CID 19152923

IUPAC6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Br)cc2F)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C16H11BrF3N5/c17-8-1-4-12(11(20)5-8)24-15-14(21)16(23-7-22-15)25-13-6-9(18)2-3-10(13)19/h1-7H,21H2,(H2,22,23,24,25)
InChIKeyXJHNXSBGFNERND-UHFFFAOYSA-N
MW410.20 g/mol
LogP4.73
Rot. Bonds4

About 6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine

6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19152923) has the molecular formula C16H11BrF3N5 and a molecular weight of 410.20 g/mol. Its IUPAC name is 6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19152923
Molecular FormulaC16H11BrF3N5
Molecular Weight410.20 g/mol
Exact Mass409.01
IUPAC Name6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(Br)cc2F)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C16H11BrF3N5/c17-8-1-4-12(11(20)5-8)24-15-14(21)16(23-7-22-15)25-13-6-9(18)2-3-10(13)19/h1-7H,21H2,(H2,22,23,24,25)
InChIKeyXJHNXSBGFNERND-UHFFFAOYSA-N
XLogP4.73
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.20
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-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

4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22543522
4-N-(4-bromo-2-fluorophenyl)-6-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152905
4-N-(4-bromo-2-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150562
6-N-(4-bromo-2-fluorophenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141027
6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144523
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457
4-N-(4-bromo-2-fluorophenyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144940
4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145503
4-N-(2,4-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19153814
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-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine (CID 19152923) is 6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(Br)cc2F)ncnc1Nc1cc(F)ccc1F.
What is the InChIKey of 6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is XJHNXSBGFNERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N5/c17-8-1-4-12(11(20)5-8)24-15-14(21)16(23-7-22-15)25-13-6-9(18)2-3-10(13)19/h1-7H,21H2,(H2,22,23,24,25).
What are the key properties of 6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine?
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 410.20 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 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-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19152923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).