2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine

C10H17N3O3S — CID 62755886

IUPAC2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CS(C)(=O)=O)nc1
InChIInChI=1S/C10H17N3O3S/c1-16-4-3-11-5-9-6-12-10(13-7-9)8-17(2,14)15/h6-7,11H,3-5,8H2,1-2H3
InChIKeyPYNLBZRKPAPOEG-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.24
Rot. Bonds7

About 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine

2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 62755886) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID62755886
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CS(C)(=O)=O)nc1
InChIInChI=1S/C10H17N3O3S/c1-16-4-3-11-5-9-6-12-10(13-7-9)8-17(2,14)15/h6-7,11H,3-5,8H2,1-2H3
InChIKeyPYNLBZRKPAPOEG-UHFFFAOYSA-N
XLogP-0.24
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
2-methoxy-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82423390
2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755354
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 102536065
2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 63190551
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62757699
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 64985792
N-[[2-[(2,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62756617
2-methoxy-N-[[2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-yl]methyl]ethanamine
CID 107761526
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 103535978

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine (CID 62755886) is 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine is COCCNCc1cnc(CS(C)(=O)=O)nc1.
What is the InChIKey of 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is PYNLBZRKPAPOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-16-4-3-11-5-9-6-12-10(13-7-9)8-17(2,14)15/h6-7,11H,3-5,8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 259.33 g/mol, XLogP of -0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 62755886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).