methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate

C12H14N2O2S2 — CID 66686575

IUPACmethyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCCc1sc2ncnc(SCC(=O)OC)c2c1C
InChIInChI=1S/C12H14N2O2S2/c1-4-8-7(2)10-11(17-5-9(15)16-3)13-6-14-12(10)18-8/h6H,4-5H2,1-3H3
InChIKeyPCWNRPNMJMNFKS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.83
Rot. Bonds4

About methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate

methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (PubChem CID 66686575) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
PubChem CID66686575
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Namemethyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCCc1sc2ncnc(SCC(=O)OC)c2c1C
InChIInChI=1S/C12H14N2O2S2/c1-4-8-7(2)10-11(17-5-9(15)16-3)13-6-14-12(10)18-8/h6H,4-5H2,1-3H3
InChIKeyPCWNRPNMJMNFKS-UHFFFAOYSA-N
XLogP2.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (CID 66686575) is methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is CCc1sc2ncnc(SCC(=O)OC)c2c1C.
What is the InChIKey of methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The InChIKey is PCWNRPNMJMNFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-4-8-7(2)10-11(17-5-9(15)16-3)13-6-14-12(10)18-8/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate has a molecular weight of 282.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-ethyl-5-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 66686575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).