2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione

C10H16N2O2S — CID 106475622

IUPAC2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-8-7-10(15)12-9(11-8)3-4-14-6-5-13-2/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyQZWYORKIHZCAOM-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.65
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione

2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475622) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475622
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-8-7-10(15)12-9(11-8)3-4-14-6-5-13-2/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyQZWYORKIHZCAOM-UHFFFAOYSA-N
XLogP1.65
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475605
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475606
2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 33777144
2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475589
2-(2-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475687
6-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475867
6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106476123
6-ethyl-2-(2-methoxyethyl)-1H-pyrimidine-4-thione
CID 106476245
2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476645
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477645
6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106478399
5-bromo-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479045

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione (CID 106475622) is 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione is COCCOCCc1nc(=S)cc(C)[nH]1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is QZWYORKIHZCAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8-7-10(15)12-9(11-8)3-4-14-6-5-13-2/h7H,3-6H2,1-2H3,(H,11,12,15).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione?
2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 228.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).