2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine

C12H11BrClN3 — CID 66160131

IUPAC2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C12H11BrClN3/c1-7-5-11(15-2)17-12(16-7)9-6-8(14)3-4-10(9)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyNPXIXFSZLCRVRL-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.91
Rot. Bonds2

About 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine

2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 66160131) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID66160131
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C12H11BrClN3/c1-7-5-11(15-2)17-12(16-7)9-6-8(14)3-4-10(9)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyNPXIXFSZLCRVRL-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine (CID 66160131) is 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(-c2cc(Cl)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is NPXIXFSZLCRVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-5-11(15-2)17-12(16-7)9-6-8(14)3-4-10(9)13/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine?
2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 312.60 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66160131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).