[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine

C11H19N5O2S — CID 80907367

IUPAC[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H19N5O2S/c1-2-3-9-10(15-12)13-8-14-11(9)16-4-6-19(17,18)7-5-16/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyRUFMNSVHFRFXHD-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.05
Rot. Bonds4

About [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine

[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine (PubChem CID 80907367) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine
PubChem CID80907367
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H19N5O2S/c1-2-3-9-10(15-12)13-8-14-11(9)16-4-6-19(17,18)7-5-16/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyRUFMNSVHFRFXHD-UHFFFAOYSA-N
XLogP-0.05
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.05
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

[6-(4-methoxypiperidin-1-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80894834
1-[1-(6-hydrazinyl-5-propylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839925
[6-(2,6-dimethylmorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80928395
1-(6-hydrazinyl-5-propylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684050
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80904341
[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
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine
CID 80810895
N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899134
6-hydrazinyl-N-(1-methylpiperidin-4-yl)-5-propylpyrimidin-4-amine
CID 80895120
[6-(3-methylsulfonylthiomorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80925707
[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80896615

Frequently Asked Questions

What is the IUPAC name of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine (CID 80907367) is [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1N1CCS(=O)(=O)CC1.
What is the InChIKey of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine?
The InChIKey is RUFMNSVHFRFXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-2-3-9-10(15-12)13-8-14-11(9)16-4-6-19(17,18)7-5-16/h8H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine?
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine has a molecular weight of 285.37 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80907367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).