2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine

C11H9BrClN3 — CID 66160132

IUPAC2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C11H9BrClN3/c1-6-4-10(14)16-11(15-6)8-5-7(13)2-3-9(8)12/h2-5H,1H3,(H2,14,15,16)
InChIKeyLWDMVJFQFYOEKW-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.45
Rot. Bonds1

About 2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine

2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine (PubChem CID 66160132) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
PubChem CID66160132
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2cc(Cl)ccc2Br)n1
InChIInChI=1S/C11H9BrClN3/c1-6-4-10(14)16-11(15-6)8-5-7(13)2-3-9(8)12/h2-5H,1H3,(H2,14,15,16)
InChIKeyLWDMVJFQFYOEKW-UHFFFAOYSA-N
XLogP3.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 53.45
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)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine (CID 66160132) is 2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine is Cc1cc(N)nc(-c2cc(Cl)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine?
The InChIKey is LWDMVJFQFYOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c1-6-4-10(14)16-11(15-6)8-5-7(13)2-3-9(8)12/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine?
2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine has a molecular weight of 298.57 g/mol, XLogP of 3.45, 1 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)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66160132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).