1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol

C11H19N3O2S — CID 113317871

IUPAC1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCOCCNCC(O)CSc1nccc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-9-3-4-13-11(14-9)17-8-10(15)7-12-5-6-16-2/h3-4,10,12,15H,5-8H2,1-2H3
InChIKeyROARSAYBPXGJOI-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.47
Rot. Bonds8

About 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol

1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol (PubChem CID 113317871) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
PubChem CID113317871
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCOCCNCC(O)CSc1nccc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-9-3-4-13-11(14-9)17-8-10(15)7-12-5-6-16-2/h3-4,10,12,15H,5-8H2,1-2H3
InChIKeyROARSAYBPXGJOI-UHFFFAOYSA-N
XLogP0.47
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
1-(2-methoxyethylamino)-3-(4-methoxyphenyl)sulfanylpropan-2-ol
CID 115476235
3-methoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 62582075
N-[[3-chloro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 81160485
2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanoic acid
CID 62269637
2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 62580093
1-(2,5-difluorophenyl)sulfanyl-3-(2-methoxyethylamino)propan-2-ol
CID 113317862
(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 104889205
1-(3-chlorophenyl)sulfanyl-3-(2-methoxyethylamino)propan-2-ol
CID 113317875
2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62269830
2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80640543
1-methoxy-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-one
CID 107508326

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol (CID 113317871) is 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol is COCCNCC(O)CSc1nccc(C)n1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
The InChIKey is ROARSAYBPXGJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-3-4-13-11(14-9)17-8-10(15)7-12-5-6-16-2/h3-4,10,12,15H,5-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol?
1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol has a molecular weight of 257.36 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 113317871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).