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

C12H11BrClN3 — CID 79075215

IUPAC5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2nc(Cl)ncc2Br)c1C
InChIInChI=1S/C12H11BrClN3/c1-7-4-3-5-10(8(7)2)16-11-9(13)6-15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyODZGDFQOPHEZEZ-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.25
Rot. Bonds2

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

5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine (PubChem CID 79075215) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
PubChem CID79075215
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2nc(Cl)ncc2Br)c1C
InChIInChI=1S/C12H11BrClN3/c1-7-4-3-5-10(8(7)2)16-11-9(13)6-15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyODZGDFQOPHEZEZ-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 79073311
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066171
N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412586

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine (CID 79075215) is 5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine is Cc1cccc(Nc2nc(Cl)ncc2Br)c1C.
What is the InChIKey of 5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine?
The InChIKey is ODZGDFQOPHEZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-4-3-5-10(8(7)2)16-11-9(13)6-15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine has a molecular weight of 312.60 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79075215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).