[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine

C12H13ClN4S — CID 80931464

IUPAC[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCc1ccc(Sc2nc(NN)ncc2Cl)cc1C
InChIInChI=1S/C12H13ClN4S/c1-7-3-4-9(5-8(7)2)18-11-10(13)6-15-12(16-11)17-14/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyOMFGVBFOQHESDS-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.18
Rot. Bonds3

About [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine

[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80931464) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80931464
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCc1ccc(Sc2nc(NN)ncc2Cl)cc1C
InChIInChI=1S/C12H13ClN4S/c1-7-3-4-9(5-8(7)2)18-11-10(13)6-15-12(16-11)17-14/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyOMFGVBFOQHESDS-UHFFFAOYSA-N
XLogP3.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.18
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

2-Chloro-4-[(4-methylphenyl)sulfanyl]pyrimidine
CID 18327475
[4-(5-Methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)phenyl]methanamine
CID 61382935
4-(5-Methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 61383029
2-Chloro-4-(3,4-dimethylphenyl)sulfanyl-5-fluoropyrimidine
CID 79075266
2-Chloro-5-fluoro-4-(3-methylphenyl)sulfanylpyrimidine
CID 79075267
2-Chloro-5-fluoro-4-(4-methylphenyl)sulfanylpyrimidine
CID 79075808
4-(4-Tert-butylphenyl)sulfanyl-2-chloro-5-fluoropyrimidine
CID 79075810
2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine
CID 79075917
2-Chloro-5-fluoro-4-(4-propan-2-ylphenyl)sulfanylpyrimidine
CID 79076013
2-Chloro-5-fluoro-4-[(2-methylphenyl)methylsulfanyl]pyrimidine
CID 79076016
2-Chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine
CID 79076313
5-Fluoro-4-(4-methylphenyl)sulfanylpyrimidin-2-amine
CID 80883912

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine (CID 80931464) is [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine is Cc1ccc(Sc2nc(NN)ncc2Cl)cc1C.
What is the InChIKey of [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is OMFGVBFOQHESDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-7-3-4-9(5-8(7)2)18-11-10(13)6-15-12(16-11)17-14/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine?
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 280.78 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80931464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).