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

C10H16N2O2S — CID 106477712

IUPAC6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(CC(C)OC)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-7(14-3)4-9-11-8(6-13-2)5-10(15)12-9/h5,7H,4,6H2,1-3H3,(H,11,12,15)
InChIKeyRSGJJBKGBVAHBV-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.86
Rot. Bonds5

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

6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione (PubChem CID 106477712) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione
PubChem CID106477712
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(CC(C)OC)[nH]1
InChIInChI=1S/C10H16N2O2S/c1-7(14-3)4-9-11-8(6-13-2)5-10(15)12-9/h5,7H,4,6H2,1-3H3,(H,11,12,15)
InChIKeyRSGJJBKGBVAHBV-UHFFFAOYSA-N
XLogP1.86
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106477636
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
2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475643
2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475654
2-(1-methoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475657
2-(2-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475687
2-(1-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475714

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione (CID 106477712) is 6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(CC(C)OC)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione?
The InChIKey is RSGJJBKGBVAHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(14-3)4-9-11-8(6-13-2)5-10(15)12-9/h5,7H,4,6H2,1-3H3,(H,11,12,15).
What are the key properties of 6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione has a molecular weight of 228.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(2-methoxypropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).