2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

C13H20N2O2S — CID 136983284

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CSC2)C(C)(C)C
InChIInChI=1S/C13H20N2O2S/c1-5-17-10(13(2,3)4)11-14-9-7-18-6-8(9)12(16)15-11/h10H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyMOFRBLFURIGNNM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.64
Rot. Bonds3

About 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 136983284) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID136983284
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CSC2)C(C)(C)C
InChIInChI=1S/C13H20N2O2S/c1-5-17-10(13(2,3)4)11-14-9-7-18-6-8(9)12(16)15-11/h10H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyMOFRBLFURIGNNM-UHFFFAOYSA-N
XLogP2.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 136983284) is 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is CCOC(c1nc2c(c(=O)[nH]1)CSC2)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is MOFRBLFURIGNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-5-17-10(13(2,3)4)11-14-9-7-18-6-8(9)12(16)15-11/h10H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 268.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136983284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).