methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate

C12H13N3O4S — CID 62956789

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ncnc2ccsc12
InChIInChI=1S/C12H13N3O4S/c1-18-9(16)5-15(6-10(17)19-2)12-11-8(3-4-20-11)13-7-14-12/h3-4,7H,5-6H2,1-2H3
InChIKeyKORPNFLZSDAXMU-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.84
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate (PubChem CID 62956789) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate
PubChem CID62956789
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ncnc2ccsc12
InChIInChI=1S/C12H13N3O4S/c1-18-9(16)5-15(6-10(17)19-2)12-11-8(3-4-20-11)13-7-14-12/h3-4,7H,5-6H2,1-2H3
InChIKeyKORPNFLZSDAXMU-UHFFFAOYSA-N
XLogP0.84
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate (CID 62956789) is methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate is COC(=O)CN(CC(=O)OC)c1ncnc2ccsc12.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate?
The InChIKey is KORPNFLZSDAXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-18-9(16)5-15(6-10(17)19-2)12-11-8(3-4-20-11)13-7-14-12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate has a molecular weight of 295.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate is sourced from PubChem (CID 62956789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).