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

C10H16N2OS — CID 106476666

IUPAC2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCOC(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-5-13-8(4)9-11-7(3)6(2)10(14)12-9/h8H,5H2,1-4H3,(H,11,12,14)
InChIKeyOSKUMBOXAXUFIU-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.85
Rot. Bonds3

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

2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476666) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476666
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCOC(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-5-13-8(4)9-11-7(3)6(2)10(14)12-9/h8H,5H2,1-4H3,(H,11,12,14)
InChIKeyOSKUMBOXAXUFIU-UHFFFAOYSA-N
XLogP2.85
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.85
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-propan-2-yl-1H-pyrimidine-4-thione
CID 106475387
2-(2-ethoxybutan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475603
2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475643
2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475654
2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475659
2-(2-ethoxypropan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475688
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-ethoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475724
2-(1-methoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475725

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476666) is 2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is CCOC(C)c1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is OSKUMBOXAXUFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-5-13-8(4)9-11-7(3)6(2)10(14)12-9/h8H,5H2,1-4H3,(H,11,12,14).
What are the key properties of 2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).