2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione

C9H14N2OS — CID 106476738

IUPAC2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOC(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-5-6(2)10-8(7(3)12-4)11-9(5)13/h7H,1-4H3,(H,10,11,13)
InChIKeyKIHFNFHBHYLVKO-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.46
Rot. Bonds2

About 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione

2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476738) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476738
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOC(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-5-6(2)10-8(7(3)12-4)11-9(5)13/h7H,1-4H3,(H,10,11,13)
InChIKeyKIHFNFHBHYLVKO-UHFFFAOYSA-N
XLogP2.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106476716
2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475643
2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475654
2-(2-methoxypropan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475712
2-(1-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475714
2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475721
2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475722
2-(1-methoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475725
2-(1-ethoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475762
6-tert-butyl-2-(1-methoxyethyl)-1H-pyrimidine-4-thione
CID 106475969
5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106476608
2-(2-ethoxybutan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476628

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476738) is 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is COC(C)c1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is KIHFNFHBHYLVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-5-6(2)10-8(7(3)12-4)11-9(5)13/h7H,1-4H3,(H,10,11,13).
What are the key properties of 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 198.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).