4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

C13H13BrCl2N4 — CID 107794917

IUPAC4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H13BrCl2N4/c1-3-7-12(17-2)18-6-19-13(7)20-9-5-4-8(14)10(15)11(9)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyBVOGZLKDZOFXGN-UHFFFAOYSA-N
MW376.09 g/mol
LogP4.89
Rot. Bonds4

About 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 107794917) has the molecular formula C13H13BrCl2N4 and a molecular weight of 376.09 g/mol. Its IUPAC name is 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID107794917
Molecular FormulaC13H13BrCl2N4
Molecular Weight376.09 g/mol
Exact Mass373.97
IUPAC Name4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C13H13BrCl2N4/c1-3-7-12(17-2)18-6-19-13(7)20-9-5-4-8(14)10(15)11(9)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyBVOGZLKDZOFXGN-UHFFFAOYSA-N
XLogP4.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-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-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107792305
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107794856
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80798019
5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80824993
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 107792315
N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine
CID 114002339
N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103482018
4-N-[2-(difluoromethylsulfanyl)phenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80748948

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 107794917) is 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is BVOGZLKDZOFXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N4/c1-3-7-12(17-2)18-6-19-13(7)20-9-5-4-8(14)10(15)11(9)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 376.09 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107794917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).