4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine

C11H8BrN5S — CID 80882654

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine
SMILESNc1ncc(Br)c(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H8BrN5S/c12-6-5-14-10(13)17-9(6)18-11-15-7-3-1-2-4-8(7)16-11/h1-5H,(H,15,16)(H2,13,14,17)
InChIKeyJCJSWGHIYUVZGV-UHFFFAOYSA-N
MW322.19 g/mol
LogP2.85
Rot. Bonds2

About 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine

4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine (PubChem CID 80882654) has the molecular formula C11H8BrN5S and a molecular weight of 322.19 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine
PubChem CID80882654
Molecular FormulaC11H8BrN5S
Molecular Weight322.19 g/mol
Exact Mass320.97
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine
SMILESNc1ncc(Br)c(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H8BrN5S/c12-6-5-14-10(13)17-9(6)18-11-15-7-3-1-2-4-8(7)16-11/h1-5H,(H,15,16)(H2,13,14,17)
InChIKeyJCJSWGHIYUVZGV-UHFFFAOYSA-N
XLogP2.85
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
CID 80882219
4-(1H-benzimidazol-2-ylsulfanyl)-5-nitropyrimidin-2-amine
CID 4526105
2-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 106999419
4-(1H-benzimidazol-2-ylsulfanyl)-5-bromo-1H-pyrimidin-6-one
CID 114790995
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
CID 80647029
4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine
CID 114991117
5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
CID 80893259
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
(1S)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-bromophenyl]ethanamine
CID 63370348
5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine
CID 80887194

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine (CID 80882654) is 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine is Nc1ncc(Br)c(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine?
The InChIKey is JCJSWGHIYUVZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5S/c12-6-5-14-10(13)17-9(6)18-11-15-7-3-1-2-4-8(7)16-11/h1-5H,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine?
4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine has a molecular weight of 322.19 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine is sourced from PubChem (CID 80882654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).