2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one

C12H16N2O2S — CID 11357207

IUPAC2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCOc1nc2sccc2c(=O)n1CCC
InChIInChI=1S/C12H16N2O2S/c1-3-6-14-11(15)9-5-8-17-10(9)13-12(14)16-7-4-2/h5,8H,3-4,6-7H2,1-2H3
InChIKeyCIGXJSGQXKPYKE-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.66
Rot. Bonds5

About 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one

2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 11357207) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID11357207
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCOc1nc2sccc2c(=O)n1CCC
InChIInChI=1S/C12H16N2O2S/c1-3-6-14-11(15)9-5-8-17-10(9)13-12(14)16-7-4-2/h5,8H,3-4,6-7H2,1-2H3
InChIKeyCIGXJSGQXKPYKE-UHFFFAOYSA-N
XLogP2.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one (CID 11357207) is 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one is CCCOc1nc2sccc2c(=O)n1CCC.
What is the InChIKey of 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is CIGXJSGQXKPYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-6-14-11(15)9-5-8-17-10(9)13-12(14)16-7-4-2/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one?
2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 252.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 11357207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).