5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine

C11H8Br3N3 — CID 114077544

IUPAC5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Br)c(Br)c2)ncc1Br
InChIInChI=1S/C11H8Br3N3/c1-15-11-9(14)5-16-10(17-11)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyFMTOIXSLOYDHJE-UHFFFAOYSA-N
MW421.92 g/mol
LogP4.47
Rot. Bonds2

About 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine

5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine (PubChem CID 114077544) has the molecular formula C11H8Br3N3 and a molecular weight of 421.92 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine
PubChem CID114077544
Molecular FormulaC11H8Br3N3
Molecular Weight421.92 g/mol
Exact Mass418.83
IUPAC Name5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Br)c(Br)c2)ncc1Br
InChIInChI=1S/C11H8Br3N3/c1-15-11-9(14)5-16-10(17-11)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyFMTOIXSLOYDHJE-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.92
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine 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-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823414
5-bromo-2-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-4-amine
CID 66295670
5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66302245
5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine
CID 66304285
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
5-bromo-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
CID 66296832
5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66297991
5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 66295477
5-bromo-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66297025
5-bromo-2-(2-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66301431
5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66304283
5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine
CID 79235763

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine (CID 114077544) is 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2ccc(Br)c(Br)c2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is FMTOIXSLOYDHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br3N3/c1-15-11-9(14)5-16-10(17-11)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine?
5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 421.92 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114077544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).