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

C11H18N2O2S — CID 106476123

IUPAC6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CCOCCOC)[nH]1
InChIInChI=1S/C11H18N2O2S/c1-3-9-8-11(16)13-10(12-9)4-5-15-7-6-14-2/h8H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyJFZMCODSCDMGGH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.91
Rot. Bonds7

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

6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione (PubChem CID 106476123) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
PubChem CID106476123
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CCOCCOC)[nH]1
InChIInChI=1S/C11H18N2O2S/c1-3-9-8-11(16)13-10(12-9)4-5-15-7-6-14-2/h8H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyJFZMCODSCDMGGH-UHFFFAOYSA-N
XLogP1.91
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.91
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

2-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475092
6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475346
6-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475852
6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475853
6-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106476107
2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476108
6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113838904
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 113838940
2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 33777144
2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475078
2-(2-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475178
2-(2-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475241

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione (CID 106476123) is 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione is CCc1cc(=S)nc(CCOCCOC)[nH]1.
What is the InChIKey of 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione?
The InChIKey is JFZMCODSCDMGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-9-8-11(16)13-10(12-9)4-5-15-7-6-14-2/h8H,3-7H2,1-2H3,(H,12,13,16).
What are the key properties of 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione?
6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione has a molecular weight of 242.34 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).