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

C12H18N2O2S — CID 106478399

IUPAC6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)cc(C2CC2)[nH]1
InChIInChI=1S/C12H18N2O2S/c1-15-6-7-16-5-4-11-13-10(9-2-3-9)8-12(17)14-11/h8-9H,2-7H2,1H3,(H,13,14,17)
InChIKeyOMQUKZAIXACEHR-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.22
Rot. Bonds7

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

6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione (PubChem CID 106478399) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
PubChem CID106478399
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)cc(C2CC2)[nH]1
InChIInChI=1S/C12H18N2O2S/c1-15-6-7-16-5-4-11-13-10(9-2-3-9)8-12(17)14-11/h8-9H,2-7H2,1H3,(H,13,14,17)
InChIKeyOMQUKZAIXACEHR-UHFFFAOYSA-N
XLogP2.22
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.22
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 6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione (CID 106478399) is 6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione is COCCOCCc1nc(=S)cc(C2CC2)[nH]1.
What is the InChIKey of 6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione?
The InChIKey is OMQUKZAIXACEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-15-6-7-16-5-4-11-13-10(9-2-3-9)8-12(17)14-11/h8-9H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione?
6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione has a molecular weight of 254.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).