3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide

C10H16N4OS — CID 63590109

IUPAC3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide
SMILESCc1cnc(SC(C(=O)NN)C(C)C)nc1
InChIInChI=1S/C10H16N4OS/c1-6(2)8(9(15)14-11)16-10-12-4-7(3)5-13-10/h4-6,8H,11H2,1-3H3,(H,14,15)
InChIKeyZLXNIKYTYFARIN-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.89
Rot. Bonds4

About 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide

3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide (PubChem CID 63590109) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide
PubChem CID63590109
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide
SMILESCc1cnc(SC(C(=O)NN)C(C)C)nc1
InChIInChI=1S/C10H16N4OS/c1-6(2)8(9(15)14-11)16-10-12-4-7(3)5-13-10/h4-6,8H,11H2,1-3H3,(H,14,15)
InChIKeyZLXNIKYTYFARIN-UHFFFAOYSA-N
XLogP0.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
CID 63580962
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide
CID 106926301
2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
CID 63581762
2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide
CID 55215053
2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide
CID 79527866
4-amino-2-(5-methylpyrimidin-2-yl)sulfanylbutanoic acid
CID 64695488
2-(1H-benzimidazol-2-ylsulfanyl)-3-methylbutanehydrazide
CID 63581693
N-tert-butyl-3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 62581954
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide
CID 79405255
2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
CID 63581279
3-methyl-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]butan-2-amine
CID 62582326

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide?
The IUPAC name of 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide (CID 63590109) is 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide.
What is the SMILES notation for 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide?
The canonical SMILES for 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide is Cc1cnc(SC(C(=O)NN)C(C)C)nc1.
What is the InChIKey of 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide?
The InChIKey is ZLXNIKYTYFARIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6(2)8(9(15)14-11)16-10-12-4-7(3)5-13-10/h4-6,8H,11H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide?
3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide has a molecular weight of 240.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide is sourced from PubChem (CID 63590109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).