2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine

C12H15N3S2 — CID 62304285

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine
SMILESCc1cc(C)nc(SC(CN)c2cccs2)n1
InChIInChI=1S/C12H15N3S2/c1-8-6-9(2)15-12(14-8)17-11(7-13)10-4-3-5-16-10/h3-6,11H,7,13H2,1-2H3
InChIKeyLJBPTIQKVTWHTI-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.95
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine (PubChem CID 62304285) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine
PubChem CID62304285
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine
SMILESCc1cc(C)nc(SC(CN)c2cccs2)n1
InChIInChI=1S/C12H15N3S2/c1-8-6-9(2)15-12(14-8)17-11(7-13)10-4-3-5-16-10/h3-6,11H,7,13H2,1-2H3
InChIKeyLJBPTIQKVTWHTI-UHFFFAOYSA-N
XLogP2.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62409749
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine
CID 63538093
2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine
CID 63238348
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride
CID 86262707
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 42990207
2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
CID 55020982
6-methyl-2-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylpyrimidin-4-amine
CID 95153739
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 46606399
2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 62269086
3-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 64632124
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanimidamide
CID 62306169

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine (CID 62304285) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine is Cc1cc(C)nc(SC(CN)c2cccs2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine?
The InChIKey is LJBPTIQKVTWHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-8-6-9(2)15-12(14-8)17-11(7-13)10-4-3-5-16-10/h3-6,11H,7,13H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine has a molecular weight of 265.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62304285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).