5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine

C10H5BrCl3N3 — CID 168509794

IUPAC5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine
SMILESClc1ccc(Nc2ncc(Br)c(Cl)n2)cc1Cl
InChIInChI=1S/C10H5BrCl3N3/c11-6-4-15-10(17-9(6)14)16-5-1-2-7(12)8(13)3-5/h1-4H,(H,15,16,17)
InChIKeyVBAXKRKCXSSBDX-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.94
Rot. Bonds2

About 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine

5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine (PubChem CID 168509794) has the molecular formula C10H5BrCl3N3 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine
PubChem CID168509794
Molecular FormulaC10H5BrCl3N3
Molecular Weight353.43 g/mol
Exact Mass350.87
IUPAC Name5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine
SMILESClc1ccc(Nc2ncc(Br)c(Cl)n2)cc1Cl
InChIInChI=1S/C10H5BrCl3N3/c11-6-4-15-10(17-9(6)14)16-5-1-2-7(12)8(13)3-5/h1-4H,(H,15,16,17)
InChIKeyVBAXKRKCXSSBDX-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
CID 168509796
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
CID 107616386
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 59354245
5-bromo-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 54605390
2-(3,4-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380055
5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine
CID 59354536
2-(3,4-dichloroanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83182017
5-bromo-4-chloro-N-(3-chloro-4-fluorophenyl)pyrimidin-2-amine;5-bromo-2-N-(3-chloro-4-fluorophenyl)-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine;2-imidazol-1-ylethanamine
CID 159276291
5-bromo-4-chloro-N-(3,5-dimethylphenyl)pyrimidin-2-amine;5-bromo-2-(3,5-dimethylanilino)-1H-pyrimidin-6-one
CID 157364188
2-N-(3,4-dichlorophenyl)-5-N-dimethylphosphoryl-4-N-methylpyrimidine-2,4,5-triamine
CID 21077439
6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride
CID 142637448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine (CID 168509794) is 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine is Clc1ccc(Nc2ncc(Br)c(Cl)n2)cc1Cl.
What is the InChIKey of 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine?
The InChIKey is VBAXKRKCXSSBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl3N3/c11-6-4-15-10(17-9(6)14)16-5-1-2-7(12)8(13)3-5/h1-4H,(H,15,16,17).
What are the key properties of 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine?
5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine has a molecular weight of 353.43 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 168509794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).