6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione

C10H16N2O2S — CID 106477616

IUPAC6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
SMILESCOCCCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-13-5-3-4-9-11-8(7-14-2)6-10(15)12-9/h6H,3-5,7H2,1-2H3,(H,11,12,15)
InChIKeyOMPVLJGIUYZPOD-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.86
Rot. Bonds6

About 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione

6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione (PubChem CID 106477616) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
PubChem CID106477616
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
SMILESCOCCCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-13-5-3-4-9-11-8(7-14-2)6-10(15)12-9/h6H,3-5,7H2,1-2H3,(H,11,12,15)
InChIKeyOMPVLJGIUYZPOD-UHFFFAOYSA-N
XLogP1.86
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.86
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'}

Analyze 6-(methoxymethyl)-2-(3-methoxypropyl)-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 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione (CID 106477616) is 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione is COCCCc1nc(=S)cc(COC)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione?
The InChIKey is OMPVLJGIUYZPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-13-5-3-4-9-11-8(7-14-2)6-10(15)12-9/h6H,3-5,7H2,1-2H3,(H,11,12,15).
What are the key properties of 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione has a molecular weight of 228.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).