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

C12H11BrClN3O2 — CID 59354245

IUPAC5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Br)c(Cl)n2)cc(OC)c1
InChIInChI=1S/C12H11BrClN3O2/c1-18-8-3-7(4-9(5-8)19-2)16-12-15-6-10(13)11(14)17-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyMCBWQXOQCHAHAD-UHFFFAOYSA-N
MW344.60 g/mol
LogP3.65
Rot. Bonds4

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

5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine (PubChem CID 59354245) has the molecular formula C12H11BrClN3O2 and a molecular weight of 344.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
PubChem CID59354245
Molecular FormulaC12H11BrClN3O2
Molecular Weight344.60 g/mol
Exact Mass342.97
IUPAC Name5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc(Br)c(Cl)n2)cc(OC)c1
InChIInChI=1S/C12H11BrClN3O2/c1-18-8-3-7(4-9(5-8)19-2)16-12-15-6-10(13)11(14)17-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyMCBWQXOQCHAHAD-UHFFFAOYSA-N
XLogP3.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-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-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine
CID 59353304
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine
CID 168509794
5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
CID 168509796
5-bromo-4-chloro-N-(3,5-dimethylphenyl)pyrimidin-2-amine;5-bromo-2-(3,5-dimethylanilino)-1H-pyrimidin-6-one
CID 157364188
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
CID 107616386
5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912
4-N-(3-bromo-5-methoxyphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 82861319
3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 113413780
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
2-N-(3,5-dimethoxyphenyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine
CID 70900911
3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
CID 114837346

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine (CID 59354245) is 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine is COc1cc(Nc2ncc(Br)c(Cl)n2)cc(OC)c1.
What is the InChIKey of 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is MCBWQXOQCHAHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2/c1-18-8-3-7(4-9(5-8)19-2)16-12-15-6-10(13)11(14)17-12/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine?
5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 344.60 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 59354245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).