1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone

C9H10N2O2S — CID 105464104

IUPAC1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone
SMILESCOc1nc(C(C)=O)nc2c1CSC2
InChIInChI=1S/C9H10N2O2S/c1-5(12)8-10-7-4-14-3-6(7)9(11-8)13-2/h3-4H2,1-2H3
InChIKeyXXGOHQLGPKTDIP-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.43
Rot. Bonds2

About 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone

1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone (PubChem CID 105464104) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone
PubChem CID105464104
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone
SMILESCOc1nc(C(C)=O)nc2c1CSC2
InChIInChI=1S/C9H10N2O2S/c1-5(12)8-10-7-4-14-3-6(7)9(11-8)13-2/h3-4H2,1-2H3
InChIKeyXXGOHQLGPKTDIP-UHFFFAOYSA-N
XLogP1.43
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone (CID 105464104) is 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone is COc1nc(C(C)=O)nc2c1CSC2.
What is the InChIKey of 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone?
The InChIKey is XXGOHQLGPKTDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-5(12)8-10-7-4-14-3-6(7)9(11-8)13-2/h3-4H2,1-2H3.
What are the key properties of 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone?
1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone has a molecular weight of 210.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone is sourced from PubChem (CID 105464104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).