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

C10H16N2O2S — CID 106477612

IUPAC6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCOCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-3-4-14-7-9-11-8(6-13-2)5-10(15)12-9/h5H,3-4,6-7H2,1-2H3,(H,11,12,15)
InChIKeyHMEJVOMCRKQOTE-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.21
Rot. Bonds6

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

6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477612) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477612
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCOCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-3-4-14-7-9-11-8(6-13-2)5-10(15)12-9/h5H,3-4,6-7H2,1-2H3,(H,11,12,15)
InChIKeyHMEJVOMCRKQOTE-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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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Related Compounds

6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106475693
6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106477610
2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477630
6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106477682
6-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106477718
6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113839259
6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077027
6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione
CID 94077038
2-Ethyl-6-methoxymethyl-pyrimidine-4-thiol
CID 94077049
6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106475583
2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475643
2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475654

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione (CID 106477612) is 6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione is CCCOCc1nc(=S)cc(COC)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is HMEJVOMCRKQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-4-14-7-9-11-8(6-13-2)5-10(15)12-9/h5H,3-4,6-7H2,1-2H3,(H,11,12,15).
What are the key properties of 6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 228.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(propoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).