N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine

C12H20N4OS — CID 130242130

IUPACN-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine
SMILESCNCCSc1ncnc(N2CCOCC2)c1C
InChIInChI=1S/C12H20N4OS/c1-10-11(16-4-6-17-7-5-16)14-9-15-12(10)18-8-3-13-2/h9,13H,3-8H2,1-2H3
InChIKeyUGIMNOAGKZPIPB-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.93
Rot. Bonds5

About N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine

N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine (PubChem CID 130242130) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine
PubChem CID130242130
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine
SMILESCNCCSc1ncnc(N2CCOCC2)c1C
InChIInChI=1S/C12H20N4OS/c1-10-11(16-4-6-17-7-5-16)14-9-15-12(10)18-8-3-13-2/h9,13H,3-8H2,1-2H3
InChIKeyUGIMNOAGKZPIPB-UHFFFAOYSA-N
XLogP0.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine?
The IUPAC name of N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine (CID 130242130) is N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine.
What is the SMILES notation for N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine?
The canonical SMILES for N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine is CNCCSc1ncnc(N2CCOCC2)c1C.
What is the InChIKey of N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine?
The InChIKey is UGIMNOAGKZPIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-10-11(16-4-6-17-7-5-16)14-9-15-12(10)18-8-3-13-2/h9,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine?
N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine has a molecular weight of 268.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)sulfanylethanamine is sourced from PubChem (CID 130242130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).