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

C11H8Br2Cl2N4 — CID 107794856

IUPAC5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C11H8Br2Cl2N4/c1-16-11-17-4-6(13)10(19-11)18-7-3-2-5(12)8(14)9(7)15/h2-4H,1H3,(H2,16,17,18,19)
InChIKeyUEMQMVXGNHAQQP-UHFFFAOYSA-N
MW426.93 g/mol
LogP5.09
Rot. Bonds3

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

5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 107794856) has the molecular formula C11H8Br2Cl2N4 and a molecular weight of 426.93 g/mol. Its IUPAC name is 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID107794856
Molecular FormulaC11H8Br2Cl2N4
Molecular Weight426.93 g/mol
Exact Mass423.85
IUPAC Name5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C11H8Br2Cl2N4/c1-16-11-17-4-6(13)10(19-11)18-7-3-2-5(12)8(14)9(7)15/h2-4H,1H3,(H2,16,17,18,19)
InChIKeyUEMQMVXGNHAQQP-UHFFFAOYSA-N
XLogP5.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-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-(2,4-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759983
4-N-(4-bromo-2,3-dichlorophenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 107794871
4-N-(4-bromo-2,3-dichlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 107794802
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431
4-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-chlorobenzonitrile
CID 107810649
4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107794861
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80760837
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80789337
5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763611
4-N-(4-bromo-2,3-dichlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107794917
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107793260

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 107794856) is 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(Nc2ccc(Br)c(Cl)c2Cl)n1.
What is the InChIKey of 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is UEMQMVXGNHAQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2Cl2N4/c1-16-11-17-4-6(13)10(19-11)18-7-3-2-5(12)8(14)9(7)15/h2-4H,1H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 426.93 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 107794856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).