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

C11H16N2O2S — CID 106477827

IUPAC6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(CC2CCOC2)[nH]1
InChIInChI=1S/C11H16N2O2S/c1-14-7-9-5-11(16)13-10(12-9)4-8-2-3-15-6-8/h5,8H,2-4,6-7H2,1H3,(H,12,13,16)
InChIKeyFGHJYJLBNJKPBP-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.86
Rot. Bonds4

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

6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione (PubChem CID 106477827) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione
PubChem CID106477827
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(CC2CCOC2)[nH]1
InChIInChI=1S/C11H16N2O2S/c1-14-7-9-5-11(16)13-10(12-9)4-8-2-3-15-6-8/h5,8H,2-4,6-7H2,1H3,(H,12,13,16)
InChIKeyFGHJYJLBNJKPBP-UHFFFAOYSA-N
XLogP1.86
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-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

Related Compounds

2-(oxolan-3-ylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475550
6-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione
CID 106475799
6-ethyl-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione
CID 106476297
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
6-(methoxymethyl)-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106477611
6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106477649
6-(methoxymethyl)-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106477693
2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477716
6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione
CID 106477731
6-(methoxymethyl)-2-(oxan-3-yl)-1H-pyrimidine-4-thione
CID 106477732
2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477750
6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106477768

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione (CID 106477827) is 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(CC2CCOC2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione?
The InChIKey is FGHJYJLBNJKPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-14-7-9-5-11(16)13-10(12-9)4-8-2-3-15-6-8/h5,8H,2-4,6-7H2,1H3,(H,12,13,16).
What are the key properties of 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione has a molecular weight of 240.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).