[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine

C9H16N6O2S — CID 80914226

IUPAC[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCS(=O)(=O)N1CCN(c2cc(NN)ncn2)CC1
InChIInChI=1S/C9H16N6O2S/c1-18(16,17)15-4-2-14(3-5-15)9-6-8(13-10)11-7-12-9/h6-7H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyNCKYMWRETFVZHQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-1.16
Rot. Bonds3

About [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine

[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80914226) has the molecular formula C9H16N6O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80914226
Molecular FormulaC9H16N6O2S
Molecular Weight272.33 g/mol
Exact Mass272.11
IUPAC Name[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
SMILESCS(=O)(=O)N1CCN(c2cc(NN)ncn2)CC1
InChIInChI=1S/C9H16N6O2S/c1-18(16,17)15-4-2-14(3-5-15)9-6-8(13-10)11-7-12-9/h6-7H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyNCKYMWRETFVZHQ-UHFFFAOYSA-N
XLogP-1.16
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
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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Related Compounds

4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
1-(6-cyclobutylpyrimidin-4-yl)-4-methylsulfonyl-1,4-diazepane
CID 165435367
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909931
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909400
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]hydrazine
CID 80929365
[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]hydrazine
CID 102746712
[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]hydrazine
CID 80913366
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 95131678
6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78982341
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80918094
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine
CID 80944351

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine (CID 80914226) is [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine is CS(=O)(=O)N1CCN(c2cc(NN)ncn2)CC1.
What is the InChIKey of [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is NCKYMWRETFVZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2S/c1-18(16,17)15-4-2-14(3-5-15)9-6-8(13-10)11-7-12-9/h6-7H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine?
[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 272.33 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80914226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).