[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine

C13H16BrN5S — CID 80980403

IUPAC[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Sc2ncccc2Br)n1
InChIInChI=1S/C13H16BrN5S/c1-13(2,3)12-17-9(19-15)7-10(18-12)20-11-8(14)5-4-6-16-11/h4-7H,15H2,1-3H3,(H,17,18,19)
InChIKeySADAYHJPITWGRJ-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.37
Rot. Bonds3

About [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine

[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine (PubChem CID 80980403) has the molecular formula C13H16BrN5S and a molecular weight of 354.28 g/mol. Its IUPAC name is [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
PubChem CID80980403
Molecular FormulaC13H16BrN5S
Molecular Weight354.28 g/mol
Exact Mass353.03
IUPAC Name[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Sc2ncccc2Br)n1
InChIInChI=1S/C13H16BrN5S/c1-13(2,3)12-17-9(19-15)7-10(18-12)20-11-8(14)5-4-6-16-11/h4-7H,15H2,1-3H3,(H,17,18,19)
InChIKeySADAYHJPITWGRJ-UHFFFAOYSA-N
XLogP3.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979287
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80890882
[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928804
[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107785381
(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
6-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
CID 80890614
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891150
[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980190
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine
CID 80890787
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride
CID 163333008
4-[(3-bromo-2-pyridinyl)sulfanyl]pyrimidin-2-amine
CID 80890616

Frequently Asked Questions

What is the IUPAC name of [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine (CID 80980403) is [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(Sc2ncccc2Br)n1.
What is the InChIKey of [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine?
The InChIKey is SADAYHJPITWGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5S/c1-13(2,3)12-17-9(19-15)7-10(18-12)20-11-8(14)5-4-6-16-11/h4-7H,15H2,1-3H3,(H,17,18,19).
What are the key properties of [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine?
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine has a molecular weight of 354.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80980403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).