4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine

C9H7BrN4S — CID 63872669

IUPAC4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine
SMILESNc1cnccc1Sc1ncc(Br)cn1
InChIInChI=1S/C9H7BrN4S/c10-6-3-13-9(14-4-6)15-8-1-2-12-5-7(8)11/h1-5H,11H2
InChIKeyISEISJSJFYPTSV-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.37
Rot. Bonds2

About 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine

4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine (PubChem CID 63872669) has the molecular formula C9H7BrN4S and a molecular weight of 283.15 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine
PubChem CID63872669
Molecular FormulaC9H7BrN4S
Molecular Weight283.15 g/mol
Exact Mass281.96
IUPAC Name4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine
SMILESNc1cnccc1Sc1ncc(Br)cn1
InChIInChI=1S/C9H7BrN4S/c10-6-3-13-9(14-4-6)15-8-1-2-12-5-7(8)11/h1-5H,11H2
InChIKeyISEISJSJFYPTSV-UHFFFAOYSA-N
XLogP2.37
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 62112804
4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 79718644
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 106796767
4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine
CID 142433853
4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridin-3-amine
CID 65275012
2-[(3-bromo-4-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 104779064
4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
CID 43300179
4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine
CID 28890544
3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one
CID 62939764
methyl 2-[(3-amino-4-pyridinyl)sulfanyl]pyridine-3-carboxylate
CID 62111629
4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine
CID 62112470
4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine
CID 58266394

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine?
The IUPAC name of 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine (CID 63872669) is 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine is Nc1cnccc1Sc1ncc(Br)cn1.
What is the InChIKey of 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine?
The InChIKey is ISEISJSJFYPTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4S/c10-6-3-13-9(14-4-6)15-8-1-2-12-5-7(8)11/h1-5H,11H2.
What are the key properties of 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine?
4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine has a molecular weight of 283.15 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 63872669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).