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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,4-thiazepane 1,1-dioxide
CID 103739604
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazine-2,6-dione
CID 80978472
1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 79238224
4-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-5-methylpyrimidine
CID 79237782
2-[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 71980313
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-azaspiro[4.4]nonane
CID 113248905
4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
CID 80972513
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862885
1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80971021
[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95785288
4-[[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 133447912
4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-2-ethyl-1,4-oxazepane
CID 114217523

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).