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

C13H11BrClN3 — CID 79072485

IUPAC5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(NC2CC2c2ccccc2)n1
InChIInChI=1S/C13H11BrClN3/c14-10-7-16-13(15)18-12(10)17-11-6-9(11)8-4-2-1-3-5-8/h1-5,7,9,11H,6H2,(H,16,17,18)
InChIKeyBDUQXQCUSPQDMR-UHFFFAOYSA-N
MW324.61 g/mol
LogP3.86
Rot. Bonds3

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

5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine (PubChem CID 79072485) has the molecular formula C13H11BrClN3 and a molecular weight of 324.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
PubChem CID79072485
Molecular FormulaC13H11BrClN3
Molecular Weight324.61 g/mol
Exact Mass322.98
IUPAC Name5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(NC2CC2c2ccccc2)n1
InChIInChI=1S/C13H11BrClN3/c14-10-7-16-13(15)18-12(10)17-11-6-9(11)8-4-2-1-3-5-8/h1-5,7,9,11H,6H2,(H,16,17,18)
InChIKeyBDUQXQCUSPQDMR-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 53.86
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-phenylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine (CID 79072485) is 5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine is Clc1ncc(Br)c(NC2CC2c2ccccc2)n1.
What is the InChIKey of 5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The InChIKey is BDUQXQCUSPQDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3/c14-10-7-16-13(15)18-12(10)17-11-6-9(11)8-4-2-1-3-5-8/h1-5,7,9,11H,6H2,(H,16,17,18).
What are the key properties of 5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine has a molecular weight of 324.61 g/mol, XLogP of 3.86, 3 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-phenylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 79072485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).