[2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine

C12H21N5O3S — CID 102887920

IUPAC[2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C12H21N5O3S/c1-3-20-7-11-14-10(16-13)6-12(15-11)17-4-5-21(18,19)8-9(17)2/h6,9H,3-5,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeySDWWBYZOHKNBJF-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.08
Rot. Bonds5

About [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine

[2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine (PubChem CID 102887920) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine
PubChem CID102887920
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name[2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C12H21N5O3S/c1-3-20-7-11-14-10(16-13)6-12(15-11)17-4-5-21(18,19)8-9(17)2/h6,9H,3-5,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeySDWWBYZOHKNBJF-UHFFFAOYSA-N
XLogP-0.08
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.08
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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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine (CID 102887920) is [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine is CCOCc1nc(NN)cc(N2CCS(=O)(=O)CC2C)n1.
What is the InChIKey of [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is SDWWBYZOHKNBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-3-20-7-11-14-10(16-13)6-12(15-11)17-4-5-21(18,19)8-9(17)2/h6,9H,3-5,7-8,13H2,1-2H3,(H,14,15,16).
What are the key properties of [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine?
[2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 315.40 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 102887920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).