2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione

C9H14N2OS — CID 106475643

IUPAC2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(C)c1nc(=S)cc(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-4-12-7(3)9-10-6(2)5-8(13)11-9/h5,7H,4H2,1-3H3,(H,10,11,13)
InChIKeySZOZKMDZJWAUTH-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.55
Rot. Bonds3

About 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione

2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475643) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475643
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(C)c1nc(=S)cc(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-4-12-7(3)9-10-6(2)5-8(13)11-9/h5,7H,4H2,1-3H3,(H,10,11,13)
InChIKeySZOZKMDZJWAUTH-UHFFFAOYSA-N
XLogP2.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.55
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

6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106475693
6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 113838976
2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 33777144
6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077027
2-Ethyl-6-methoxymethyl-pyrimidine-4-thiol
CID 94077049
2-(propoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475074
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(ethoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475203
2-(1-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475208
2-(1-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475216
2-(1-ethoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475219

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475643) is 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione is CCOC(C)c1nc(=S)cc(C)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is SZOZKMDZJWAUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-4-12-7(3)9-10-6(2)5-8(13)11-9/h5,7H,4H2,1-3H3,(H,10,11,13).
What are the key properties of 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione?
2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 198.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).