N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine

C10H17N3OS — CID 102536065

IUPACN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
SMILESCCSc1ncc(CNCCOC)cn1
InChIInChI=1S/C10H17N3OS/c1-3-15-10-12-7-9(8-13-10)6-11-4-5-14-2/h7-8,11H,3-6H2,1-2H3
InChIKeyRRBVOWVYDIQDHR-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.32
Rot. Bonds7

About N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine (PubChem CID 102536065) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
PubChem CID102536065
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
SMILESCCSc1ncc(CNCCOC)cn1
InChIInChI=1S/C10H17N3OS/c1-3-15-10-12-7-9(8-13-10)6-11-4-5-14-2/h7-8,11H,3-6H2,1-2H3
InChIKeyRRBVOWVYDIQDHR-UHFFFAOYSA-N
XLogP1.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.32
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

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]heptan-1-amine
CID 102536055
2-methoxy-N-[[2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-yl]methyl]ethanamine
CID 107761526
3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536022
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
2-(cyclohexen-1-yl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 102536081
2-methoxy-N-[[5-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80640181
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 64985792
2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755886
2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
CID 116778851
2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755354

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine (CID 102536065) is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine is CCSc1ncc(CNCCOC)cn1.
What is the InChIKey of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is RRBVOWVYDIQDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-15-10-12-7-9(8-13-10)6-11-4-5-14-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 102536065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).