2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane

C10H17ClN2OS — CID 126758925

IUPAC2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane
SMILESCc1cc(OCCS(C)(C)C)nc(Cl)n1
InChIInChI=1S/C10H17ClN2OS/c1-8-7-9(13-10(11)12-8)14-5-6-15(2,3)4/h7H,5-6H2,1-4H3
InChIKeyKEGVEPOWSZSFQI-UHFFFAOYSA-N
MW248.78 g/mol
LogP2.51
Rot. Bonds4

About 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane

2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane (PubChem CID 126758925) has the molecular formula C10H17ClN2OS and a molecular weight of 248.78 g/mol. Its IUPAC name is 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane
PubChem CID126758925
Molecular FormulaC10H17ClN2OS
Molecular Weight248.78 g/mol
Exact Mass248.08
IUPAC Name2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane
SMILESCc1cc(OCCS(C)(C)C)nc(Cl)n1
InChIInChI=1S/C10H17ClN2OS/c1-8-7-9(13-10(11)12-8)14-5-6-15(2,3)4/h7H,5-6H2,1-4H3
InChIKeyKEGVEPOWSZSFQI-UHFFFAOYSA-N
XLogP2.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane?
The IUPAC name of 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane (CID 126758925) is 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane.
What is the SMILES notation for 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane?
The canonical SMILES for 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane is Cc1cc(OCCS(C)(C)C)nc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane?
The InChIKey is KEGVEPOWSZSFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2OS/c1-8-7-9(13-10(11)12-8)14-5-6-15(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane?
2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane has a molecular weight of 248.78 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl-trimethyl-λ4-sulfane is sourced from PubChem (CID 126758925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).