3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine

C11H19N3OS — CID 62582075

IUPAC3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
SMILESCOCCCNCCSc1nccc(C)n1
InChIInChI=1S/C11H19N3OS/c1-10-4-6-13-11(14-10)16-9-7-12-5-3-8-15-2/h4,6,12H,3,5,7-9H2,1-2H3
InChIKeyZHMYGUUGGOLWLT-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.50
Rot. Bonds8

About 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine

3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine (PubChem CID 62582075) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
PubChem CID62582075
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
SMILESCOCCCNCCSc1nccc(C)n1
InChIInChI=1S/C11H19N3OS/c1-10-4-6-13-11(14-10)16-9-7-12-5-3-8-15-2/h4,6,12H,3,5,7-9H2,1-2H3
InChIKeyZHMYGUUGGOLWLT-UHFFFAOYSA-N
XLogP1.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.50
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-methoxyethyl)-4-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 62581894
2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 62580093
4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
CID 166190130
2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine
CID 62579262
1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 113317871
4-(4-methylpyrimidin-2-yl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62581708
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 55092599
2-(6-chlorohexylsulfanyl)-4-methylpyrimidine
CID 62268363
2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62579535
3-methoxy-N-[[4-[(3-methoxypropylamino)methylsulfanyl]-1,3,5-triazin-2-yl]sulfanylmethyl]propan-1-amine
CID 21430040
N-(3-ethoxypropyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 55092498
N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62580695

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine (CID 62582075) is 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine is COCCCNCCSc1nccc(C)n1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine?
The InChIKey is ZHMYGUUGGOLWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-10-4-6-13-11(14-10)16-9-7-12-5-3-8-15-2/h4,6,12H,3,5,7-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine?
3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 62582075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).