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

C12H19N3O2S — CID 133461008

IUPAC4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCc1cc(N2CCS(=O)(=O)C(C)C2)nc(C)n1
InChIInChI=1S/C12H19N3O2S/c1-4-11-7-12(14-10(3)13-11)15-5-6-18(16,17)9(2)8-15/h7,9H,4-6,8H2,1-3H3
InChIKeyUJPSKHLEAVXAEN-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.97
Rot. Bonds2

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

4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 133461008) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID133461008
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCc1cc(N2CCS(=O)(=O)C(C)C2)nc(C)n1
InChIInChI=1S/C12H19N3O2S/c1-4-11-7-12(14-10(3)13-11)15-5-6-18(16,17)9(2)8-15/h7,9H,4-6,8H2,1-3H3
InChIKeyUJPSKHLEAVXAEN-UHFFFAOYSA-N
XLogP0.97
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide (CID 133461008) is 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide is CCc1cc(N2CCS(=O)(=O)C(C)C2)nc(C)n1.
What is the InChIKey of 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is UJPSKHLEAVXAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-11-7-12(14-10(3)13-11)15-5-6-18(16,17)9(2)8-15/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide?
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 133461008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).