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

C9H14N2OS — CID 106476768

IUPAC2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOCCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-6-7(2)10-8(4-5-12-3)11-9(6)13/h4-5H2,1-3H3,(H,10,11,13)
InChIKeyVBSCFBIXEYSIEP-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.94
Rot. Bonds3

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

2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476768) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476768
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOCCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-6-7(2)10-8(4-5-12-3)11-9(6)13/h4-5H2,1-3H3,(H,10,11,13)
InChIKeyVBSCFBIXEYSIEP-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106476630
2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476631
6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113839342
2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 33777144
5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077026
2-ethyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 94077048
2-(2-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475687
2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476614
2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476645
2-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476666
2-(2-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476710
2-(ethoxymethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476732

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476768) is 2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is COCCc1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is VBSCFBIXEYSIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-7(2)10-8(4-5-12-3)11-9(6)13/h4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 198.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).