2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine

C12H21N3OS — CID 55092146

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C12H21N3OS/c1-9-7-10(2)15-12(14-9)17-11(3)8-13-5-6-16-4/h7,11,13H,5-6,8H2,1-4H3
InChIKeyQMOPIGLWVNIEBY-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.81
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (PubChem CID 55092146) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
PubChem CID55092146
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C12H21N3OS/c1-9-7-10(2)15-12(14-9)17-11(3)8-13-5-6-16-4/h7,11,13H,5-6,8H2,1-4H3
InChIKeyQMOPIGLWVNIEBY-UHFFFAOYSA-N
XLogP1.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (CID 55092146) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)Sc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is QMOPIGLWVNIEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-7-10(2)15-12(14-9)17-11(3)8-13-5-6-16-4/h7,11,13H,5-6,8H2,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 55092146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).