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

C10H14N2O2S — CID 106477768

IUPAC6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C10H14N2O2S/c1-13-6-8-4-9(15)12-10(11-8)7-2-3-14-5-7/h4,7H,2-3,5-6H2,1H3,(H,11,12,15)
InChIKeyRDJYQVUHIHASBF-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.79
Rot. Bonds3

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

6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106477768) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
PubChem CID106477768
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C10H14N2O2S/c1-13-6-8-4-9(15)12-10(11-8)7-2-3-14-5-7/h4,7H,2-3,5-6H2,1H3,(H,11,12,15)
InChIKeyRDJYQVUHIHASBF-UHFFFAOYSA-N
XLogP1.79
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.79
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-yl)-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

6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077027
6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106475741
6-(methoxymethyl)-2-propyl-1H-pyrimidine-4-thione
CID 106477607
6-(methoxymethyl)-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106477611
6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
CID 106477616
2-(cyclopropylmethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477623
2-(2-ethoxybutan-2-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477628
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477645
6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106477649
2-cyclopropyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477656
6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione
CID 106477712
2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477716

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione (CID 106477768) is 6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2CCOC2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is RDJYQVUHIHASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-13-6-8-4-9(15)12-10(11-8)7-2-3-14-5-7/h4,7H,2-3,5-6H2,1H3,(H,11,12,15).
What are the key properties of 6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 226.30 g/mol, XLogP of 1.79, 3 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-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).