N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

C12H19N3OS — CID 104755794

IUPACN-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSc1ncc(C)cn1)C1CCOC1
InChIInChI=1S/C12H19N3OS/c1-9-5-14-12(15-6-9)17-8-11(13-2)10-3-4-16-7-10/h5-6,10-11,13H,3-4,7-8H2,1-2H3
InChIKeyBZSFMJGQOKZEFO-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.50
Rot. Bonds5

About N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104755794) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
PubChem CID104755794
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSc1ncc(C)cn1)C1CCOC1
InChIInChI=1S/C12H19N3OS/c1-9-5-14-12(15-6-9)17-8-11(13-2)10-3-4-16-7-10/h5-6,10-11,13H,3-4,7-8H2,1-2H3
InChIKeyBZSFMJGQOKZEFO-UHFFFAOYSA-N
XLogP1.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755803
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine
CID 104755502
5-methyl-1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-2-one
CID 104747676
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 104749198
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113449572
2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 63563049
N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
CID 65129261
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755328
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755768

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (CID 104755794) is N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is CNC(CSc1ncc(C)cn1)C1CCOC1.
What is the InChIKey of N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is BZSFMJGQOKZEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-5-14-12(15-6-9)17-8-11(13-2)10-3-4-16-7-10/h5-6,10-11,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 253.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).