[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

C12H20N4S — CID 107766282

IUPAC[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)C(C)Sc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H20N4S/c1-7(2)8(3)17-11-6-10(16-13)14-12(15-11)9-4-5-9/h6-9H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyMXUONHONJVMRNQ-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.78
Rot. Bonds5

About [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 107766282) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID107766282
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)C(C)Sc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H20N4S/c1-7(2)8(3)17-11-6-10(16-13)14-12(15-11)9-4-5-9/h6-9H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyMXUONHONJVMRNQ-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (CID 107766282) is [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is CC(C)C(C)Sc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is MXUONHONJVMRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-7(2)8(3)17-11-6-10(16-13)14-12(15-11)9-4-5-9/h6-9H,4-5,13H2,1-3H3,(H,14,15,16).
What are the key properties of [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 252.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107766282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).