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

C9H14N2O2S — CID 106476375

IUPAC2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione
SMILESCOCCOCCc1nccc(=S)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-12-6-7-13-5-3-8-10-4-2-9(14)11-8/h2,4H,3,5-7H2,1H3,(H,10,11,14)
InChIKeyYBUIQYFKAKSMPK-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.34
Rot. Bonds6

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

2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione (PubChem CID 106476375) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione
PubChem CID106476375
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione
SMILESCOCCOCCc1nccc(=S)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-12-6-7-13-5-3-8-10-4-2-9(14)11-8/h2,4H,3,5-7H2,1H3,(H,10,11,14)
InChIKeyYBUIQYFKAKSMPK-UHFFFAOYSA-N
XLogP1.34
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione (CID 106476375) is 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione is COCCOCCc1nccc(=S)[nH]1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione?
The InChIKey is YBUIQYFKAKSMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-12-6-7-13-5-3-8-10-4-2-9(14)11-8/h2,4H,3,5-7H2,1H3,(H,10,11,14).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione?
2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione has a molecular weight of 214.29 g/mol, XLogP of 1.34, 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]-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).