4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide

C11H16ClN3OS — CID 79237706

IUPAC4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCc1nc(Cl)c(C)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H16ClN3OS/c1-3-9-13-10(12)8(2)11(14-9)15-4-6-17(16)7-5-15/h3-7H2,1-2H3
InChIKeyNGQWBOULUDNMHQ-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.57
Rot. Bonds2

About 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide

4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (PubChem CID 79237706) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
PubChem CID79237706
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCc1nc(Cl)c(C)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H16ClN3OS/c1-3-9-13-10(12)8(2)11(14-9)15-4-6-17(16)7-5-15/h3-7H2,1-2H3
InChIKeyNGQWBOULUDNMHQ-UHFFFAOYSA-N
XLogP1.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (CID 79237706) is 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is CCc1nc(Cl)c(C)c(N2CCS(=O)CC2)n1.
What is the InChIKey of 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The InChIKey is NGQWBOULUDNMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-3-9-13-10(12)8(2)11(14-9)15-4-6-17(16)7-5-15/h3-7H2,1-2H3.
What are the key properties of 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide has a molecular weight of 273.79 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 79237706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).