N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine

C12H14N4S — CID 83123351

IUPACN-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine
SMILESCNC(C)c1ccc(Sc2ccncn2)cn1
InChIInChI=1S/C12H14N4S/c1-9(13-2)11-4-3-10(7-15-11)17-12-5-6-14-8-16-12/h3-9,13H,1-2H3
InChIKeyAFTCQEXMAFTIFZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.30
Rot. Bonds4

About N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine

N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine (PubChem CID 83123351) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine
PubChem CID83123351
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC NameN-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine
SMILESCNC(C)c1ccc(Sc2ccncn2)cn1
InChIInChI=1S/C12H14N4S/c1-9(13-2)11-4-3-10(7-15-11)17-12-5-6-14-8-16-12/h3-9,13H,1-2H3
InChIKeyAFTCQEXMAFTIFZ-UHFFFAOYSA-N
XLogP2.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine?
The IUPAC name of N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine (CID 83123351) is N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine?
The canonical SMILES for N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine is CNC(C)c1ccc(Sc2ccncn2)cn1.
What is the InChIKey of N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine?
The InChIKey is AFTCQEXMAFTIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-9(13-2)11-4-3-10(7-15-11)17-12-5-6-14-8-16-12/h3-9,13H,1-2H3.
What are the key properties of N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine?
N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine has a molecular weight of 246.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 83123351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).