2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione

C9H14N2O2S — CID 106477741

IUPAC2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C(C)OC)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-6(13-3)9-10-7(5-12-2)4-8(14)11-9/h4,6H,5H2,1-3H3,(H,10,11,14)
InChIKeyCGTBDKXKJDAHSP-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.99
Rot. Bonds4

About 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione

2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477741) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477741
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C(C)OC)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-6(13-3)9-10-7(5-12-2)4-8(14)11-9/h4,6H,5H2,1-3H3,(H,10,11,14)
InChIKeyCGTBDKXKJDAHSP-UHFFFAOYSA-N
XLogP1.99
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477741) is 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C(C)OC)[nH]1.
What is the InChIKey of 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is CGTBDKXKJDAHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(13-3)9-10-7(5-12-2)4-8(14)11-9/h4,6H,5H2,1-3H3,(H,10,11,14).
What are the key properties of 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 214.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).