5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine

C10H6BrCl2N3S — CID 80884851

IUPAC5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine
SMILESNc1ncc(Br)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C10H6BrCl2N3S/c11-6-4-15-10(14)16-9(6)17-8-3-5(12)1-2-7(8)13/h1-4H,(H2,14,15,16)
InChIKeyGAXRQMYVKSFMIM-UHFFFAOYSA-N
MW351.06 g/mol
LogP4.28
Rot. Bonds2

About 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine

5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine (PubChem CID 80884851) has the molecular formula C10H6BrCl2N3S and a molecular weight of 351.06 g/mol. Its IUPAC name is 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine
PubChem CID80884851
Molecular FormulaC10H6BrCl2N3S
Molecular Weight351.06 g/mol
Exact Mass348.88
IUPAC Name5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine
SMILESNc1ncc(Br)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C10H6BrCl2N3S/c11-6-4-15-10(14)16-9(6)17-8-3-5(12)1-2-7(8)13/h1-4H,(H2,14,15,16)
InChIKeyGAXRQMYVKSFMIM-UHFFFAOYSA-N
XLogP4.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.06
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine (CID 80884851) is 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine is Nc1ncc(Br)c(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine?
The InChIKey is GAXRQMYVKSFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3S/c11-6-4-15-10(14)16-9(6)17-8-3-5(12)1-2-7(8)13/h1-4H,(H2,14,15,16).
What are the key properties of 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine?
5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine has a molecular weight of 351.06 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80884851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).