3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one

C9H9N3OS — CID 121199486

IUPAC3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1C1CNC1
InChIInChI=1S/C9H9N3OS/c13-9-8-7(1-2-14-8)11-5-12(9)6-3-10-4-6/h1-2,5-6,10H,3-4H2
InChIKeyNFUVWBWQYIEQQF-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.60
Rot. Bonds1

About 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one

3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 121199486) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one
PubChem CID121199486
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1C1CNC1
InChIInChI=1S/C9H9N3OS/c13-9-8-7(1-2-14-8)11-5-12(9)6-3-10-4-6/h1-2,5-6,10H,3-4H2
InChIKeyNFUVWBWQYIEQQF-UHFFFAOYSA-N
XLogP0.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one (CID 121199486) is 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1C1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is NFUVWBWQYIEQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c13-9-8-7(1-2-14-8)11-5-12(9)6-3-10-4-6/h1-2,5-6,10H,3-4H2.
What are the key properties of 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one?
3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 207.26 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 121199486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).