5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine

C10H5BrCl3N3 — CID 79076161

IUPAC5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H5BrCl3N3/c11-6-4-15-10(14)17-9(6)16-5-1-2-7(12)8(13)3-5/h1-4H,(H,15,16,17)
InChIKeyMYLHSSRYFTWOPI-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.94
Rot. Bonds2

About 5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine (PubChem CID 79076161) has the molecular formula C10H5BrCl3N3 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
PubChem CID79076161
Molecular FormulaC10H5BrCl3N3
Molecular Weight353.43 g/mol
Exact Mass350.87
IUPAC Name5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H5BrCl3N3/c11-6-4-15-10(14)17-9(6)16-5-1-2-7(12)8(13)3-5/h1-4H,(H,15,16,17)
InChIKeyMYLHSSRYFTWOPI-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.94
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-(3,4-dichlorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine (CID 79076161) is 5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine is Clc1ncc(Br)c(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine?
The InChIKey is MYLHSSRYFTWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl3N3/c11-6-4-15-10(14)17-9(6)16-5-1-2-7(12)8(13)3-5/h1-4H,(H,15,16,17).
What are the key properties of 5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 4.94, 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-(3,4-dichlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 79076161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).