2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium

C16H21N4S2+ — CID 7872960

IUPAC2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium
SMILESCc1sc2nc(-c3cccs3)nc(NCC[NH+](C)C)c2c1C
InChIInChI=1S/C16H20N4S2/c1-10-11(2)22-16-13(10)15(17-7-8-20(3)4)18-14(19-16)12-6-5-9-21-12/h5-6,9H,7-8H2,1-4H3,(H,17,18,19)/p+1
InChIKeyDTRJABYLXUZIRU-UHFFFAOYSA-O
MW333.51 g/mol
LogP2.59
Rot. Bonds5

About 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium

2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium (PubChem CID 7872960) has the molecular formula C16H21N4S2+ and a molecular weight of 333.51 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium
PubChem CID7872960
Molecular FormulaC16H21N4S2+
Molecular Weight333.51 g/mol
Exact Mass333.12
IUPAC Name2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium
SMILESCc1sc2nc(-c3cccs3)nc(NCC[NH+](C)C)c2c1C
InChIInChI=1S/C16H20N4S2/c1-10-11(2)22-16-13(10)15(17-7-8-20(3)4)18-14(19-16)12-6-5-9-21-12/h5-6,9H,7-8H2,1-4H3,(H,17,18,19)/p+1
InChIKeyDTRJABYLXUZIRU-UHFFFAOYSA-O
XLogP2.59
TPSA42.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium (CID 7872960) is 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium is Cc1sc2nc(-c3cccs3)nc(NCC[NH+](C)C)c2c1C.
What is the InChIKey of 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium?
The InChIKey is DTRJABYLXUZIRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N4S2/c1-10-11(2)22-16-13(10)15(17-7-8-20(3)4)18-14(19-16)12-6-5-9-21-12/h5-6,9H,7-8H2,1-4H3,(H,17,18,19)/p+1.
What are the key properties of 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium?
2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium has a molecular weight of 333.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 7872960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).