[2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

C9H16N4O2S — CID 62475276

IUPAC[2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1cc(NN)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-6(2)7-4-8(13-10)12-9(11-7)5-16(3,14)15/h4,6H,5,10H2,1-3H3,(H,11,12,13)
InChIKeySTOKWIGSYPFEKA-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.43
Rot. Bonds4

About [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

[2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 62475276) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID62475276
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name[2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1cc(NN)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-6(2)7-4-8(13-10)12-9(11-7)5-16(3,14)15/h4,6H,5,10H2,1-3H3,(H,11,12,13)
InChIKeySTOKWIGSYPFEKA-UHFFFAOYSA-N
XLogP0.43
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62474014
(2-butyl-6-propan-2-ylpyrimidin-4-yl)hydrazine
CID 79413063
[2-[(2-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62252014
[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 63639806
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine
CID 62474013
[2-(2-ethoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116730343
[2-(1-ethoxy-2-methylpropyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116730346
[6-propan-2-yl-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]hydrazine
CID 62251863
[2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62251669
[6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 65400565
[2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62250697

Frequently Asked Questions

What is the IUPAC name of [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (CID 62475276) is [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1cc(NN)nc(CS(C)(=O)=O)n1.
What is the InChIKey of [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is STOKWIGSYPFEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-6(2)7-4-8(13-10)12-9(11-7)5-16(3,14)15/h4,6H,5,10H2,1-3H3,(H,11,12,13).
What are the key properties of [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 244.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62475276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).