[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine

C11H12ClN5S — CID 102927134

IUPAC[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
SMILESCc1cc(C)nc(Sc2nc(NN)ncc2Cl)c1
InChIInChI=1S/C11H12ClN5S/c1-6-3-7(2)15-9(4-6)18-10-8(12)5-14-11(16-10)17-13/h3-5H,13H2,1-2H3,(H,14,16,17)
InChIKeyKNWHGDFELVGQKB-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.58
Rot. Bonds3

About [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine

[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine (PubChem CID 102927134) has the molecular formula C11H12ClN5S and a molecular weight of 281.77 g/mol. Its IUPAC name is [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
PubChem CID102927134
Molecular FormulaC11H12ClN5S
Molecular Weight281.77 g/mol
Exact Mass281.05
IUPAC Name[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
SMILESCc1cc(C)nc(Sc2nc(NN)ncc2Cl)c1
InChIInChI=1S/C11H12ClN5S/c1-6-3-7(2)15-9(4-6)18-10-8(12)5-14-11(16-10)17-13/h3-5H,13H2,1-2H3,(H,14,16,17)
InChIKeyKNWHGDFELVGQKB-UHFFFAOYSA-N
XLogP2.58
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.58
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

[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine
CID 102926978
[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 80923061
[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80927318
[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
CID 80929193
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772950
[4-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80923071
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
4-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidine
CID 102925184
[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine
CID 102925265
[5-chloro-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922564

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine (CID 102927134) is [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine is Cc1cc(C)nc(Sc2nc(NN)ncc2Cl)c1.
What is the InChIKey of [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine?
The InChIKey is KNWHGDFELVGQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5S/c1-6-3-7(2)15-9(4-6)18-10-8(12)5-14-11(16-10)17-13/h3-5H,13H2,1-2H3,(H,14,16,17).
What are the key properties of [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine?
[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine has a molecular weight of 281.77 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 102927134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).