2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione

C11H18N2O2S — CID 106476645

IUPAC2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C11H18N2O2S/c1-8-9(2)12-10(13-11(8)16)4-5-15-7-6-14-3/h4-7H2,1-3H3,(H,12,13,16)
InChIKeyLHLDFCSFMHEOMU-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione

2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476645) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476645
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C11H18N2O2S/c1-8-9(2)12-10(13-11(8)16)4-5-15-7-6-14-3/h4-7H2,1-3H3,(H,12,13,16)
InChIKeyLHLDFCSFMHEOMU-UHFFFAOYSA-N
XLogP1.96
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.96
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

5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106476630
2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476631
2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475622
6-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475867
2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476614
2-(2-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476710
2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476768
5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106476887
5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106477020
2-[2-(2-methoxyethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477895
6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidine-4-thione
CID 106478145
6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione
CID 106478279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476645) is 2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione is COCCOCCc1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is LHLDFCSFMHEOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-9(2)12-10(13-11(8)16)4-5-15-7-6-14-3/h4-7H2,1-3H3,(H,12,13,16).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 242.34 g/mol, XLogP of 1.96, 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]-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).