4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine

C12H12Br2N4O — CID 103417170

IUPAC4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(N)nc(C)n2)c(Br)cc1Br
InChIInChI=1S/C12H12Br2N4O/c1-6-16-11(15)5-12(17-6)18-9-4-10(19-2)8(14)3-7(9)13/h3-5H,1-2H3,(H3,15,16,17,18)
InChIKeyROJCJZSPMGBPDM-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.64
Rot. Bonds3

About 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine

4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 103417170) has the molecular formula C12H12Br2N4O and a molecular weight of 388.06 g/mol. Its IUPAC name is 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID103417170
Molecular FormulaC12H12Br2N4O
Molecular Weight388.06 g/mol
Exact Mass385.94
IUPAC Name4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(N)nc(C)n2)c(Br)cc1Br
InChIInChI=1S/C12H12Br2N4O/c1-6-16-11(15)5-12(17-6)18-9-4-10(19-2)8(14)3-7(9)13/h3-5H,1-2H3,(H3,15,16,17,18)
InChIKeyROJCJZSPMGBPDM-UHFFFAOYSA-N
XLogP3.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,4-dibromo-5-methoxyphenyl)-2-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-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
CID 103410626
4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 82759241
6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 103416320
2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine
CID 103417153
6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103417125
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 5147520
5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 103410774
4-bromo-2-N-(2,4-dibromo-5-methoxyphenyl)-5-fluorobenzene-1,2-diamine
CID 103410813
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107491236

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine (CID 103417170) is 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine is COc1cc(Nc2cc(N)nc(C)n2)c(Br)cc1Br.
What is the InChIKey of 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is ROJCJZSPMGBPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4O/c1-6-16-11(15)5-12(17-6)18-9-4-10(19-2)8(14)3-7(9)13/h3-5H,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 388.06 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 103417170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).