5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine

C10H7Br2N3S — CID 80893259

IUPAC5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
SMILESNc1ncc(Br)c(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C10H7Br2N3S/c11-6-1-3-7(4-2-6)16-9-8(12)5-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyRZCQAMDJLBQTAZ-UHFFFAOYSA-N
MW361.06 g/mol
LogP3.73
Rot. Bonds2

About 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine

5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine (PubChem CID 80893259) has the molecular formula C10H7Br2N3S and a molecular weight of 361.06 g/mol. Its IUPAC name is 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
PubChem CID80893259
Molecular FormulaC10H7Br2N3S
Molecular Weight361.06 g/mol
Exact Mass358.87
IUPAC Name5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
SMILESNc1ncc(Br)c(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C10H7Br2N3S/c11-6-1-3-7(4-2-6)16-9-8(12)5-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyRZCQAMDJLBQTAZ-UHFFFAOYSA-N
XLogP3.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.06
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine (CID 80893259) is 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine is Nc1ncc(Br)c(Sc2ccc(Br)cc2)n1.
What is the InChIKey of 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine?
The InChIKey is RZCQAMDJLBQTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N3S/c11-6-1-3-7(4-2-6)16-9-8(12)5-14-10(13)15-9/h1-5H,(H2,13,14,15).
What are the key properties of 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine?
5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine has a molecular weight of 361.06 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80893259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).