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

C10H6BrCl2N3 — CID 79075649

IUPAC5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C10H6BrCl2N3/c11-6-5-14-10(13)16-9(6)15-8-4-2-1-3-7(8)12/h1-5H,(H,14,15,16)
InChIKeyZCVQBPYEKIUXJR-UHFFFAOYSA-N
MW318.99 g/mol
LogP4.29
Rot. Bonds2

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

5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine (PubChem CID 79075649) has the molecular formula C10H6BrCl2N3 and a molecular weight of 318.99 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
PubChem CID79075649
Molecular FormulaC10H6BrCl2N3
Molecular Weight318.99 g/mol
Exact Mass316.91
IUPAC Name5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C10H6BrCl2N3/c11-6-5-14-10(13)16-9(6)15-8-4-2-1-3-7(8)12/h1-5H,(H,14,15,16)
InChIKeyZCVQBPYEKIUXJR-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.99
LogP ≤ 54.29
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-chlorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine (CID 79075649) is 5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine is Clc1ncc(Br)c(Nc2ccccc2Cl)n1.
What is the InChIKey of 5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine?
The InChIKey is ZCVQBPYEKIUXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3/c11-6-5-14-10(13)16-9(6)15-8-4-2-1-3-7(8)12/h1-5H,(H,14,15,16).
What are the key properties of 5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine has a molecular weight of 318.99 g/mol, XLogP of 4.29, 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-chlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 79075649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).