[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine

C9H15N5O2S — CID 13393629

IUPAC[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H15N5O2S/c1-7-11-8(13-10)6-9(12-7)14-2-4-17(15,16)5-3-14/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyNMSMVXKNXFCMLO-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.69
Rot. Bonds2

About [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine

[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 13393629) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine
PubChem CID13393629
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H15N5O2S/c1-7-11-8(13-10)6-9(12-7)14-2-4-17(15,16)5-3-14/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyNMSMVXKNXFCMLO-UHFFFAOYSA-N
XLogP-0.69
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.69
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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Frequently Asked Questions

What is the IUPAC name of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine (CID 13393629) is [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is NMSMVXKNXFCMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-7-11-8(13-10)6-9(12-7)14-2-4-17(15,16)5-3-14/h6H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine?
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 257.32 g/mol, XLogP of -0.69, 2 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)-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 13393629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).