4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine

C9H7BrN4S — CID 80890616

IUPAC4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine
SMILESNc1nccc(Sc2ncccc2Br)n1
InChIInChI=1S/C9H7BrN4S/c10-6-2-1-4-12-8(6)15-7-3-5-13-9(11)14-7/h1-5H,(H2,11,13,14)
InChIKeyFFXYWAYIHPLWPR-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.37
Rot. Bonds2

About 4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine

4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine (PubChem CID 80890616) has the molecular formula C9H7BrN4S and a molecular weight of 283.15 g/mol. Its IUPAC name is 4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine
PubChem CID80890616
Molecular FormulaC9H7BrN4S
Molecular Weight283.15 g/mol
Exact Mass281.96
IUPAC Name4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine
SMILESNc1nccc(Sc2ncccc2Br)n1
InChIInChI=1S/C9H7BrN4S/c10-6-2-1-4-12-8(6)15-7-3-5-13-9(11)14-7/h1-5H,(H2,11,13,14)
InChIKeyFFXYWAYIHPLWPR-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

[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-pyridinyl]methanamine
CID 64589786
6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
CID 80890614
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride
CID 163333008
2-[(3-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-3-amine
CID 66279152
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chloroaniline
CID 115469551
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80980403
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80890882
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine
CID 80890787
2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
CID 102752375
2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 64623517
8-[(3-bromo-2-pyridinyl)sulfanyl]isoquinolin-5-amine
CID 103141068
4-[(3-bromo-2-pyridinyl)sulfanyl]quinazolin-7-amine
CID 65336287

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine (CID 80890616) is 4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine is Nc1nccc(Sc2ncccc2Br)n1.
What is the InChIKey of 4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine?
The InChIKey is FFXYWAYIHPLWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4S/c10-6-2-1-4-12-8(6)15-7-3-5-13-9(11)14-7/h1-5H,(H2,11,13,14).
What are the key properties of 4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine?
4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-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-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80890616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).