2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione

C12H20N2OS — CID 106475659

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(C)[nH]1)C(C)(C)C
InChIInChI=1S/C12H20N2OS/c1-6-15-10(12(3,4)5)11-13-8(2)7-9(16)14-11/h7,10H,6H2,1-5H3,(H,13,14,16)
InChIKeyKQUKFZNTXUHVFZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.57
Rot. Bonds3

About 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione

2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475659) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475659
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(C)[nH]1)C(C)(C)C
InChIInChI=1S/C12H20N2OS/c1-6-15-10(12(3,4)5)11-13-8(2)7-9(16)14-11/h7,10H,6H2,1-5H3,(H,13,14,16)
InChIKeyKQUKFZNTXUHVFZ-UHFFFAOYSA-N
XLogP3.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.57
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-ethoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475090
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-ethoxy-2,2-dimethylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475145
2-(1-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475208
2-(1-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475216
2-(1-methoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475217
2-(1-ethoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475260
2-(1-ethoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475387
2-(1-ethoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475398
2-(1-ethoxy-2,2-dimethylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475403
2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475462

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475659) is 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione is CCOC(c1nc(=S)cc(C)[nH]1)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is KQUKFZNTXUHVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-6-15-10(12(3,4)5)11-13-8(2)7-9(16)14-11/h7,10H,6H2,1-5H3,(H,13,14,16).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione?
2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 240.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).