2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine

C9H15N3OS — CID 62579262

IUPAC2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine
SMILESCOCCNCCSc1ncccn1
InChIInChI=1S/C9H15N3OS/c1-13-7-5-10-6-8-14-9-11-3-2-4-12-9/h2-4,10H,5-8H2,1H3
InChIKeyDRBMSURSHVFILT-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.80
Rot. Bonds7

About 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine

2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine (PubChem CID 62579262) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine
PubChem CID62579262
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine
SMILESCOCCNCCSc1ncccn1
InChIInChI=1S/C9H15N3OS/c1-13-7-5-10-6-8-14-9-11-3-2-4-12-9/h2-4,10H,5-8H2,1H3
InChIKeyDRBMSURSHVFILT-UHFFFAOYSA-N
XLogP0.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.80
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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Related Compounds

2-methoxy-N-(2-phenylsulfanylethyl)ethanamine
CID 60721151
2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
CID 106925810
N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62580695
3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 62582075
N-(2-methoxyethyl)-4-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 62581894
2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 62582269
N-[(2-chloro-6-pyrimidin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63804632
2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 62580093
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 60719628
N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 63807050
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2651102
2-propylsulfanylpyrimidine
CID 19027205

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine (CID 62579262) is 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine is COCCNCCSc1ncccn1.
What is the InChIKey of 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine?
The InChIKey is DRBMSURSHVFILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-13-7-5-10-6-8-14-9-11-3-2-4-12-9/h2-4,10H,5-8H2,1H3.
What are the key properties of 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine?
2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine has a molecular weight of 213.31 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine is sourced from PubChem (CID 62579262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).