N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine

C11H19N3OS — CID 62580695

IUPACN-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCOCCNCCCSc1ncc(C)cn1
InChIInChI=1S/C11H19N3OS/c1-10-8-13-11(14-9-10)16-7-3-4-12-5-6-15-2/h8-9,12H,3-7H2,1-2H3
InChIKeyGUZVTDGDHJAOIF-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.50
Rot. Bonds8

About N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine

N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine (PubChem CID 62580695) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
PubChem CID62580695
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCOCCNCCCSc1ncc(C)cn1
InChIInChI=1S/C11H19N3OS/c1-10-8-13-11(14-9-10)16-7-3-4-12-5-6-15-2/h8-9,12H,3-7H2,1-2H3
InChIKeyGUZVTDGDHJAOIF-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

2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine
CID 62579262
N-(2-methoxyethyl)-4-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 62581894
N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62581397
methyl 4-(5-methylpyrimidin-2-yl)sulfanylbutanoate
CID 61382560
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62577597
N-(2-methoxyethyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-amine
CID 62580317
5-bromo-2-(3-methoxypropylsulfanyl)pyrimidine
CID 63867246
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 102536065
N-(2-methoxyethyl)-3-(2-methylfuran-3-yl)sulfanylpropan-1-amine
CID 107782588
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)propan-1-amine
CID 63515327
1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 107511460
4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine
CID 107782443

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine (CID 62580695) is N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine is COCCNCCCSc1ncc(C)cn1.
What is the InChIKey of N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine?
The InChIKey is GUZVTDGDHJAOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-10-8-13-11(14-9-10)16-7-3-4-12-5-6-15-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine?
N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-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 N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 62580695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).