5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine

C11H9BrClN3 — CID 24903530

IUPAC5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1ccccc1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H9BrClN3/c1-7-4-2-3-5-9(7)15-10-8(12)6-14-11(13)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyLKLMYKXARYMCQI-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.94
Rot. Bonds2

About 5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 24903530) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
PubChem CID24903530
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1ccccc1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H9BrClN3/c1-7-4-2-3-5-9(7)15-10-8(12)6-14-11(13)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyLKLMYKXARYMCQI-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine (CID 24903530) is 5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine is Cc1ccccc1Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is LKLMYKXARYMCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c1-7-4-2-3-5-9(7)15-10-8(12)6-14-11(13)16-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 298.57 g/mol, XLogP of 3.94, 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-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 24903530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).