2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid

C11H11N3O2S — CID 64616447

IUPAC2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(c2ncnc3sccc23)C1
InChIInChI=1S/C11H11N3O2S/c15-9(16)3-7-4-14(5-7)10-8-1-2-17-11(8)13-6-12-10/h1-2,6-7H,3-5H2,(H,15,16)
InChIKeyQFDIUIAHQYLFKT-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.60
Rot. Bonds3

About 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid

2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid (PubChem CID 64616447) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
PubChem CID64616447
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(c2ncnc3sccc23)C1
InChIInChI=1S/C11H11N3O2S/c15-9(16)3-7-4-14(5-7)10-8-1-2-17-11(8)13-6-12-10/h1-2,6-7H,3-5H2,(H,15,16)
InChIKeyQFDIUIAHQYLFKT-UHFFFAOYSA-N
XLogP1.60
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid (CID 64616447) is 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid is O=C(O)CC1CN(c2ncnc3sccc23)C1.
What is the InChIKey of 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid?
The InChIKey is QFDIUIAHQYLFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-9(16)3-7-4-14(5-7)10-8-1-2-17-11(8)13-6-12-10/h1-2,6-7H,3-5H2,(H,15,16).
What are the key properties of 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid?
2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid has a molecular weight of 249.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid is sourced from PubChem (CID 64616447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).