5-ethoxy-2-methyl-1H-pyrimidine-6-thione

C7H10N2OS — CID 5372650

IUPAC5-ethoxy-2-methyl-1H-pyrimidine-6-thione
SMILESCCOc1cnc(C)[nH]c1=S
InChIInChI=1S/C7H10N2OS/c1-3-10-6-4-8-5(2)9-7(6)11/h4H,3H2,1-2H3,(H,8,9,11)
InChIKeyLEGNEDVXAGFASF-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.85
Rot. Bonds2

About 5-ethoxy-2-methyl-1H-pyrimidine-6-thione

5-ethoxy-2-methyl-1H-pyrimidine-6-thione (PubChem CID 5372650) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-ethoxy-2-methyl-1H-pyrimidine-6-thione
PubChem CID5372650
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name5-ethoxy-2-methyl-1H-pyrimidine-6-thione
SMILESCCOc1cnc(C)[nH]c1=S
InChIInChI=1S/C7H10N2OS/c1-3-10-6-4-8-5(2)9-7(6)11/h4H,3H2,1-2H3,(H,8,9,11)
InChIKeyLEGNEDVXAGFASF-UHFFFAOYSA-N
XLogP1.85
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-1H-pyrimidine-6-thione?
The IUPAC name of 5-ethoxy-2-methyl-1H-pyrimidine-6-thione (CID 5372650) is 5-ethoxy-2-methyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-ethoxy-2-methyl-1H-pyrimidine-6-thione?
The canonical SMILES for 5-ethoxy-2-methyl-1H-pyrimidine-6-thione is CCOc1cnc(C)[nH]c1=S.
What is the InChIKey of 5-ethoxy-2-methyl-1H-pyrimidine-6-thione?
The InChIKey is LEGNEDVXAGFASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-3-10-6-4-8-5(2)9-7(6)11/h4H,3H2,1-2H3,(H,8,9,11).
What are the key properties of 5-ethoxy-2-methyl-1H-pyrimidine-6-thione?
5-ethoxy-2-methyl-1H-pyrimidine-6-thione has a molecular weight of 170.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 5372650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).