[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine

C12H21N5O2S2 — CID 80925707

IUPAC[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H21N5O2S2/c1-3-4-9-11(16-13)14-8-15-12(9)17-5-6-20-7-10(17)21(2,18)19/h8,10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyVNGRSVKXMLEGLR-UHFFFAOYSA-N
MW331.47 g/mol
LogP0.64
Rot. Bonds5

About [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine

[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine (PubChem CID 80925707) has the molecular formula C12H21N5O2S2 and a molecular weight of 331.47 g/mol. Its IUPAC name is [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
PubChem CID80925707
Molecular FormulaC12H21N5O2S2
Molecular Weight331.47 g/mol
Exact Mass331.11
IUPAC Name[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H21N5O2S2/c1-3-4-9-11(16-13)14-8-15-12(9)17-5-6-20-7-10(17)21(2,18)19/h8,10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyVNGRSVKXMLEGLR-UHFFFAOYSA-N
XLogP0.64
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

[6-(2,4-dimethylpiperidin-1-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80908662
[6-(3-methylmorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80906348
4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine
CID 66382775
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80907367
6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80851039
N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80907618
[6-(4-methoxypiperidin-1-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80894834
[6-(2,6-dimethylmorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80928395
1-[1-(6-hydrazinyl-5-propylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839925
1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66384579
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
1-(6-hydrazinyl-5-propylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684050

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine (CID 80925707) is [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1N1CCSCC1S(C)(=O)=O.
What is the InChIKey of [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine?
The InChIKey is VNGRSVKXMLEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S2/c1-3-4-9-11(16-13)14-8-15-12(9)17-5-6-20-7-10(17)21(2,18)19/h8,10H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine?
[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine has a molecular weight of 331.47 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80925707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).