4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide

C10H15N3O3S — CID 138043092

IUPAC4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCOc1cc(C)nc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H15N3O3S/c1-8-7-9(16-2)12-10(11-8)13-3-5-17(14,15)6-4-13/h7H,3-6H2,1-2H3
InChIKeyGDBRBRTVPTUFAS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.03
Rot. Bonds2

About 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide

4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 138043092) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID138043092
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCOc1cc(C)nc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H15N3O3S/c1-8-7-9(16-2)12-10(11-8)13-3-5-17(14,15)6-4-13/h7H,3-6H2,1-2H3
InChIKeyGDBRBRTVPTUFAS-UHFFFAOYSA-N
XLogP0.03
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide (CID 138043092) is 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide is COc1cc(C)nc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is GDBRBRTVPTUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8-7-9(16-2)12-10(11-8)13-3-5-17(14,15)6-4-13/h7H,3-6H2,1-2H3.
What are the key properties of 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide?
4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 257.31 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 138043092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).