2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine

C10H16N2O2S2 — CID 656348

IUPAC2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine
SMILESCCS(=O)(=O)CCSc1nc(C)cc(C)n1
InChIInChI=1S/C10H16N2O2S2/c1-4-16(13,14)6-5-15-10-11-8(2)7-9(3)12-10/h7H,4-6H2,1-3H3
InChIKeyZSVPXPWZPHBIPC-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.62
Rot. Bonds5

About 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine

2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine (PubChem CID 656348) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine
PubChem CID656348
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine
SMILESCCS(=O)(=O)CCSc1nc(C)cc(C)n1
InChIInChI=1S/C10H16N2O2S2/c1-4-16(13,14)6-5-15-10-11-8(2)7-9(3)12-10/h7H,4-6H2,1-3H3
InChIKeyZSVPXPWZPHBIPC-UHFFFAOYSA-N
XLogP1.62
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4,6-Dimethyl-2-pyrimidinyl)thio)acetic acid
CID 41567
4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
Methyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
CID 809277
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
4,6-Dimethylpyrimidine-2-sulfonamide
CID 22244676
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethanol
CID 587836
Pyrimidine, 2,2'-(1,4-butanediylbis(thio))bis(4,6-dimethyl-
CID 203670
Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl-
CID 203669
4,6-Dimethyl-2-methylsulfonylpyrimidine
CID 2772382
4,6-Dimethylpyrimidine-2-sulfonyl fluoride
CID 14404718
4,6-Dimethyl-2-[(2-piperidin-1-ylethyl)thio]pyrimidine
CID 779100
Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl-
CID 203671

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine (CID 656348) is 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine is CCS(=O)(=O)CCSc1nc(C)cc(C)n1.
What is the InChIKey of 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine?
The InChIKey is ZSVPXPWZPHBIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-4-16(13,14)6-5-15-10-11-8(2)7-9(3)12-10/h7H,4-6H2,1-3H3.
What are the key properties of 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine?
2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine has a molecular weight of 260.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 656348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).