2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione

C10H16N2OS — CID 106475496

IUPAC2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOCCc1nc(=S)cc(C(C)C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-7(2)8-6-10(14)12-9(11-8)4-5-13-3/h6-7H,4-5H2,1-3H3,(H,11,12,14)
InChIKeyARJNRJHYYWCSCO-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione

2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475496) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475496
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOCCc1nc(=S)cc(C(C)C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-7(2)8-6-10(14)12-9(11-8)4-5-13-3/h6-7H,4-5H2,1-3H3,(H,11,12,14)
InChIKeyARJNRJHYYWCSCO-UHFFFAOYSA-N
XLogP2.45
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.45
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

2-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475092
6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475346
6-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475852
6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475853
6-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106476107
2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476108
6-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106481316
2-[2-(2,2-difluoroethoxy)ethyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481317
6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113838904
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 113838940
2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 94077036
2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 33777144

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475496) is 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione is COCCc1nc(=S)cc(C(C)C)[nH]1.
What is the InChIKey of 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is ARJNRJHYYWCSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(2)8-6-10(14)12-9(11-8)4-5-13-3/h6-7H,4-5H2,1-3H3,(H,11,12,14).
What are the key properties of 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).