methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate

C16H17N3O2S2 — CID 17402660

IUPACmethyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc(-c2cccs2)nc2sc(C)c(C)c12
InChIInChI=1S/C16H17N3O2S2/c1-9-10(2)23-16-13(9)15(19(3)8-12(20)21-4)17-14(18-16)11-6-5-7-22-11/h5-7H,8H2,1-4H3
InChIKeyQPQFIKGZFMPIQS-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.65
Rot. Bonds4

About methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate

methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate (PubChem CID 17402660) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate
PubChem CID17402660
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Namemethyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc(-c2cccs2)nc2sc(C)c(C)c12
InChIInChI=1S/C16H17N3O2S2/c1-9-10(2)23-16-13(9)15(19(3)8-12(20)21-4)17-14(18-16)11-6-5-7-22-11/h5-7H,8H2,1-4H3
InChIKeyQPQFIKGZFMPIQS-UHFFFAOYSA-N
XLogP3.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate (CID 17402660) is methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate is COC(=O)CN(C)c1nc(-c2cccs2)nc2sc(C)c(C)c12.
What is the InChIKey of methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate?
The InChIKey is QPQFIKGZFMPIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-9-10(2)23-16-13(9)15(19(3)8-12(20)21-4)17-14(18-16)11-6-5-7-22-11/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate?
methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate has a molecular weight of 347.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate is sourced from PubChem (CID 17402660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).