5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine

C13H15BrN4O2 — CID 80763611

IUPAC5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C13H15BrN4O2/c1-15-13-16-7-9(14)12(18-13)17-10-5-4-8(19-2)6-11(10)20-3/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyZJDPASKBPRXVFS-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.04
Rot. Bonds5

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

5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80763611) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80763611
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C13H15BrN4O2/c1-15-13-16-7-9(14)12(18-13)17-10-5-4-8(19-2)6-11(10)20-3/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyZJDPASKBPRXVFS-UHFFFAOYSA-N
XLogP3.04
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-4-N-(2,4-dimethoxyphenyl)-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

4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
CID 114836602
5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80929812
4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80736524
5-bromo-4-N-(2,4-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759983
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107794856
5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 67962528
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80789337

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80763611) is 5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of 5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is ZJDPASKBPRXVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-15-13-16-7-9(14)12(18-13)17-10-5-4-8(19-2)6-11(10)20-3/h4-7H,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 339.19 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80763611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).