2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

C14H19N3S2 — CID 65039128

IUPAC2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1ccc(C(CN)Sc2nc(C)c(C)c(C)n2)s1
InChIInChI=1S/C14H19N3S2/c1-8-5-6-12(18-8)13(7-15)19-14-16-10(3)9(2)11(4)17-14/h5-6,13H,7,15H2,1-4H3
InChIKeyQJKRHEDVSPGFMU-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.56
Rot. Bonds4

About 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 65039128) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
PubChem CID65039128
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1ccc(C(CN)Sc2nc(C)c(C)c(C)n2)s1
InChIInChI=1S/C14H19N3S2/c1-8-5-6-12(18-8)13(7-15)19-14-16-10(3)9(2)11(4)17-14/h5-6,13H,7,15H2,1-4H3
InChIKeyQJKRHEDVSPGFMU-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (CID 65039128) is 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is Cc1ccc(C(CN)Sc2nc(C)c(C)c(C)n2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is QJKRHEDVSPGFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-8-5-6-12(18-8)13(7-15)19-14-16-10(3)9(2)11(4)17-14/h5-6,13H,7,15H2,1-4H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine has a molecular weight of 293.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 65039128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).