3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide

C6H6N4O2S — CID 70334143

IUPAC3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cncnc2N1
InChIInChI=1S/C6H6N4O2S/c1-4-9-6-5(2-7-3-8-6)13(11,12)10-4/h2-3H,1H3,(H,7,8,9,10)
InChIKeyLSBXESMYGCNRSM-UHFFFAOYSA-N
MW198.21 g/mol
LogP0.01
Rot. Bonds

About 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide

3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 70334143) has the molecular formula C6H6N4O2S and a molecular weight of 198.21 g/mol. Its IUPAC name is 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID70334143
Molecular FormulaC6H6N4O2S
Molecular Weight198.21 g/mol
Exact Mass198.02
IUPAC Name3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cncnc2N1
InChIInChI=1S/C6H6N4O2S/c1-4-9-6-5(2-7-3-8-6)13(11,12)10-4/h2-3H,1H3,(H,7,8,9,10)
InChIKeyLSBXESMYGCNRSM-UHFFFAOYSA-N
XLogP0.01
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide (CID 70334143) is 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cncnc2N1.
What is the InChIKey of 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is LSBXESMYGCNRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S/c1-4-9-6-5(2-7-3-8-6)13(11,12)10-4/h2-3H,1H3,(H,7,8,9,10).
What are the key properties of 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide?
3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 198.21 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 70334143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).