2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol

C9H14N2S — CID 142533287

IUPAC2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol
SMILESCCc1cnc(C)nc1CCS
InChIInChI=1S/C9H14N2S/c1-3-8-6-10-7(2)11-9(8)4-5-12/h6,12H,3-5H2,1-2H3
InChIKeyCYTPRGUSGSVROO-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.82
Rot. Bonds3

About 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol

2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol (PubChem CID 142533287) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol
PubChem CID142533287
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol
SMILESCCc1cnc(C)nc1CCS
InChIInChI=1S/C9H14N2S/c1-3-8-6-10-7(2)11-9(8)4-5-12/h6,12H,3-5H2,1-2H3
InChIKeyCYTPRGUSGSVROO-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol?
The IUPAC name of 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol (CID 142533287) is 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol.
What is the SMILES notation for 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol?
The canonical SMILES for 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol is CCc1cnc(C)nc1CCS.
What is the InChIKey of 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol?
The InChIKey is CYTPRGUSGSVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-8-6-10-7(2)11-9(8)4-5-12/h6,12H,3-5H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol?
2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol has a molecular weight of 182.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpyrimidin-4-yl)ethanethiol is sourced from PubChem (CID 142533287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).