4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C11H17N3O2S — CID 50967110

IUPAC4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCc1cnc(C)nc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17N3O2S/c1-3-10-8-12-9(2)13-11(10)14-4-6-17(15,16)7-5-14/h8H,3-7H2,1-2H3
InChIKeyWVXVUVYVQMZJAP-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.58
Rot. Bonds2

About 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 50967110) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID50967110
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCc1cnc(C)nc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17N3O2S/c1-3-10-8-12-9(2)13-11(10)14-4-6-17(15,16)7-5-14/h8H,3-7H2,1-2H3
InChIKeyWVXVUVYVQMZJAP-UHFFFAOYSA-N
XLogP0.58
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-(5-Methylpyrimidin-2-yl)butane-2-sulfonamide
CID 122702009
5-ethyl-N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72854326
N,N-dimethyl-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 75507839
5-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 77080738
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-ethylpyrimidin-2-amine
CID 97210741
N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99950077
4-[(2-Cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide
CID 128703069
5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 136519674
(3S)-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 164638455
5-(1-Methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
CID 67212781
5-(2-Methylsulfonylethyl)-2-(trifluoromethyl)pyrimidine
CID 67212782
5-(1-Methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine
CID 70904995

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 50967110) is 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is CCc1cnc(C)nc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WVXVUVYVQMZJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-10-8-12-9(2)13-11(10)14-4-6-17(15,16)7-5-14/h8H,3-7H2,1-2H3.
What are the key properties of 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 255.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 50967110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).