3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one

C10H10N2OS — CID 63196611

IUPAC3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one
SMILESCC(=O)C(C)c1ncnc2ccsc12
InChIInChI=1S/C10H10N2OS/c1-6(7(2)13)9-10-8(3-4-14-10)11-5-12-9/h3-6H,1-2H3
InChIKeyDVEVKNIJKLRLKP-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.38
Rot. Bonds2

About 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one

3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one (PubChem CID 63196611) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one.

Molecular Properties

Compound Name3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one
PubChem CID63196611
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one
SMILESCC(=O)C(C)c1ncnc2ccsc12
InChIInChI=1S/C10H10N2OS/c1-6(7(2)13)9-10-8(3-4-14-10)11-5-12-9/h3-6H,1-2H3
InChIKeyDVEVKNIJKLRLKP-UHFFFAOYSA-N
XLogP2.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one?
The IUPAC name of 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one (CID 63196611) is 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one.
What is the SMILES notation for 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one?
The canonical SMILES for 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one is CC(=O)C(C)c1ncnc2ccsc12.
What is the InChIKey of 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one?
The InChIKey is DVEVKNIJKLRLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6(7(2)13)9-10-8(3-4-14-10)11-5-12-9/h3-6H,1-2H3.
What are the key properties of 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one?
3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one has a molecular weight of 206.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one is sourced from PubChem (CID 63196611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).