4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine

C14H15BrF2N4 — CID 107608393

IUPAC4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(F)c(Br)cc2F)nc(CC)n1
InChIInChI=1S/C14H15BrF2N4/c1-3-12-20-13(18-4-2)7-14(21-12)19-11-6-9(16)8(15)5-10(11)17/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21)
InChIKeyMAHBKUQMXLUNFU-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.26
Rot. Bonds5

About 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine

4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 107608393) has the molecular formula C14H15BrF2N4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID107608393
Molecular FormulaC14H15BrF2N4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(F)c(Br)cc2F)nc(CC)n1
InChIInChI=1S/C14H15BrF2N4/c1-3-12-20-13(18-4-2)7-14(21-12)19-11-6-9(16)8(15)5-10(11)17/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21)
InChIKeyMAHBKUQMXLUNFU-UHFFFAOYSA-N
XLogP4.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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

4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632
2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 102855613
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
N-(2,5-difluoro-4-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103587913
4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934313
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 107608393) is 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(Nc2cc(F)c(Br)cc2F)nc(CC)n1.
What is the InChIKey of 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is MAHBKUQMXLUNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N4/c1-3-12-20-13(18-4-2)7-14(21-12)19-11-6-9(16)8(15)5-10(11)17/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 357.20 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 107608393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).