2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

C16H21N3S — CID 64626405

IUPAC2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cnc(SCC(N)c2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C16H21N3S/c1-10-5-12(3)15(13(4)6-10)14(17)9-20-16-18-7-11(2)8-19-16/h5-8,14H,9,17H2,1-4H3
InChIKeyVZVZQMQMFYVENR-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.50
Rot. Bonds4

About 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64626405) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64626405
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cnc(SCC(N)c2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C16H21N3S/c1-10-5-12(3)15(13(4)6-10)14(17)9-20-16-18-7-11(2)8-19-16/h5-8,14H,9,17H2,1-4H3
InChIKeyVZVZQMQMFYVENR-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 64626405) is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cnc(SCC(N)c2c(C)cc(C)cc2C)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is VZVZQMQMFYVENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-10-5-12(3)15(13(4)6-10)14(17)9-20-16-18-7-11(2)8-19-16/h5-8,14H,9,17H2,1-4H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64626405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).