3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide

C11H18N4OS — CID 79405255

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide
SMILESCc1cc(C)nc(SC(C)C(C)C(=O)NN)n1
InChIInChI=1S/C11H18N4OS/c1-6-5-7(2)14-11(13-6)17-9(4)8(3)10(16)15-12/h5,8-9H,12H2,1-4H3,(H,15,16)
InChIKeyNXTJOTISFVGIEY-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.20
Rot. Bonds4

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide (PubChem CID 79405255) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide
PubChem CID79405255
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide
SMILESCc1cc(C)nc(SC(C)C(C)C(=O)NN)n1
InChIInChI=1S/C11H18N4OS/c1-6-5-7(2)14-11(13-6)17-9(4)8(3)10(16)15-12/h5,8-9H,12H2,1-4H3,(H,15,16)
InChIKeyNXTJOTISFVGIEY-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.20
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-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methylbutanehydrazide
CID 79404938
3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 64632124
2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
CID 63581279
3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405680
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825
3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405899
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405140
methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoate
CID 4992492
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 975208
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 23743258

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide (CID 79405255) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide is Cc1cc(C)nc(SC(C)C(C)C(=O)NN)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide?
The InChIKey is NXTJOTISFVGIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-6-5-7(2)14-11(13-6)17-9(4)8(3)10(16)15-12/h5,8-9H,12H2,1-4H3,(H,15,16).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide has a molecular weight of 254.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbutanehydrazide is sourced from PubChem (CID 79405255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).