[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine

C10H7BrCl2N4S — CID 80929377

IUPAC[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(Sc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H7BrCl2N4S/c11-6-4-15-10(17-14)16-9(6)18-5-1-2-7(12)8(13)3-5/h1-4H,14H2,(H,15,16,17)
InChIKeyMVSRDWTZOKHQOM-UHFFFAOYSA-N
MW366.07 g/mol
LogP3.98
Rot. Bonds3

About [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine

[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80929377) has the molecular formula C10H7BrCl2N4S and a molecular weight of 366.07 g/mol. Its IUPAC name is [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80929377
Molecular FormulaC10H7BrCl2N4S
Molecular Weight366.07 g/mol
Exact Mass363.90
IUPAC Name[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(Sc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H7BrCl2N4S/c11-6-4-15-10(17-14)16-9(6)18-5-1-2-7(12)8(13)3-5/h1-4H,14H2,(H,15,16,17)
InChIKeyMVSRDWTZOKHQOM-UHFFFAOYSA-N
XLogP3.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.07
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409
[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
CID 80929193
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80926989
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80925442
[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80927318
[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
CID 80924960
5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884261
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80921412
2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine
CID 114044360

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine (CID 80929377) is [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine is NNc1ncc(Br)c(Sc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is MVSRDWTZOKHQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N4S/c11-6-4-15-10(17-14)16-9(6)18-5-1-2-7(12)8(13)3-5/h1-4H,14H2,(H,15,16,17).
What are the key properties of [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine?
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 366.07 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80929377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).