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

C11H19N3OS — CID 62581397

IUPACN-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCOCCNCC(C)Sc1ncc(C)cn1
InChIInChI=1S/C11H19N3OS/c1-9-6-13-11(14-7-9)16-10(2)8-12-4-5-15-3/h6-7,10,12H,4-5,8H2,1-3H3
InChIKeyXYCOZFWBWLRKSI-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.50
Rot. Bonds7

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

N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine (PubChem CID 62581397) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
PubChem CID62581397
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCOCCNCC(C)Sc1ncc(C)cn1
InChIInChI=1S/C11H19N3OS/c1-9-6-13-11(14-7-9)16-10(2)8-12-4-5-15-3/h6-7,10,12H,4-5,8H2,1-3H3
InChIKeyXYCOZFWBWLRKSI-UHFFFAOYSA-N
XLogP1.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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-(3-ethoxypropyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62581950
N-(2-methoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041082
2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62583714
N-(2-methoxyethyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62580695
N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-amine
CID 55091984
N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576429
2-methoxy-N-[[2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-yl]methyl]ethanamine
CID 107761526
3-methyl-N-(2-pyrimidin-2-ylsulfanylpropyl)butan-1-amine
CID 62578838
2-methoxy-N-[[5-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80640181
N-(3-methoxypropyl)-2-(3-methylphenyl)sulfanylpropan-1-amine
CID 55091998
3-(5-methylpyrimidin-2-yl)sulfanylbutanenitrile
CID 61383128
1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 107511460

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine (CID 62581397) is N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine is COCCNCC(C)Sc1ncc(C)cn1.
What is the InChIKey of N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine?
The InChIKey is XYCOZFWBWLRKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9-6-13-11(14-7-9)16-10(2)8-12-4-5-15-3/h6-7,10,12H,4-5,8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine?
N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 62581397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).