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

C16H21N3S — CID 65038510

IUPAC2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1ccccc1C(CN)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C16H21N3S/c1-10-7-5-6-8-14(10)15(9-17)20-16-18-12(3)11(2)13(4)19-16/h5-8,15H,9,17H2,1-4H3
InChIKeyXGDDGRRQMQMQMS-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.50
Rot. Bonds4

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

2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 65038510) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
PubChem CID65038510
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1ccccc1C(CN)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C16H21N3S/c1-10-7-5-6-8-14(10)15(9-17)20-16-18-12(3)11(2)13(4)19-16/h5-8,15H,9,17H2,1-4H3
InChIKeyXGDDGRRQMQMQMS-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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Related Compounds

2-(2-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55019111
2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65039017
2-(2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 55019254
2-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine
CID 62848582
2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62253055
1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65043474
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(2-methylphenyl)ethanamine
CID 115478356
1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 65041016
(1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 65041142
(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 93489617
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62304285
2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55016607

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of 2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (CID 65038510) is 2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for 2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is Cc1ccccc1C(CN)Sc1nc(C)c(C)c(C)n1.
What is the InChIKey of 2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is XGDDGRRQMQMQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-10-7-5-6-8-14(10)15(9-17)20-16-18-12(3)11(2)13(4)19-16/h5-8,15H,9,17H2,1-4H3.
What are the key properties of 2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine 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-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 65038510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).