2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide

C12H24N6O2S — CID 106341033

IUPAC2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C12H24N6O2S/c1-8-9(15-6-7-21(19,20)14-5)16-11(12(2,3)4)17-10(8)18-13/h14H,6-7,13H2,1-5H3,(H2,15,16,17,18)
InChIKeyYARSDGNURBKMGY-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.33
Rot. Bonds6

About 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide

2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 106341033) has the molecular formula C12H24N6O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID106341033
Molecular FormulaC12H24N6O2S
Molecular Weight316.43 g/mol
Exact Mass316.17
IUPAC Name2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(C(C)(C)C)nc(NN)c1C
InChIInChI=1S/C12H24N6O2S/c1-8-9(15-6-7-21(19,20)14-5)16-11(12(2,3)4)17-10(8)18-13/h14H,6-7,13H2,1-5H3,(H2,15,16,17,18)
InChIKeyYARSDGNURBKMGY-UHFFFAOYSA-N
XLogP0.33
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 106341033) is 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nc(C(C)(C)C)nc(NN)c1C.
What is the InChIKey of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is YARSDGNURBKMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O2S/c1-8-9(15-6-7-21(19,20)14-5)16-11(12(2,3)4)17-10(8)18-13/h14H,6-7,13H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106341033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).