[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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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).