2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione

C8H12N2OS — CID 106475709

IUPAC2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C8H12N2OS/c1-3-11-5-7-9-6(2)4-8(12)10-7/h4H,3,5H2,1-2H3,(H,9,10,12)
InChIKeyQJROUGIOFWLJLU-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.98
Rot. Bonds3

About 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione

2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475709) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475709
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C8H12N2OS/c1-3-11-5-7-9-6(2)4-8(12)10-7/h4H,3,5H2,1-2H3,(H,9,10,12)
InChIKeyQJROUGIOFWLJLU-UHFFFAOYSA-N
XLogP1.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106475693
6-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106476193
6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106477682
6-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106477718
6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 113838976
6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 113839053
2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 33777144
6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione
CID 94077038
2-Ethyl-6-methoxymethyl-pyrimidine-4-thiol
CID 94077049
2-(propoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475074
2-(ethoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475203
2-(methoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475273

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475709) is 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione is CCOCc1nc(=S)cc(C)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is QJROUGIOFWLJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-11-5-7-9-6(2)4-8(12)10-7/h4H,3,5H2,1-2H3,(H,9,10,12).
What are the key properties of 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione?
2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 184.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).