2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine

C9H9N3OS — CID 130510997

IUPAC2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine
SMILESc1cc2cnc(OC3CNC3)nc2s1
InChIInChI=1S/C9H9N3OS/c1-2-14-8-6(1)3-11-9(12-8)13-7-4-10-5-7/h1-3,7,10H,4-5H2
InChIKeySIOCMVGVSOPJPN-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.04
Rot. Bonds2

About 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine

2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine (PubChem CID 130510997) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine
PubChem CID130510997
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine
SMILESc1cc2cnc(OC3CNC3)nc2s1
InChIInChI=1S/C9H9N3OS/c1-2-14-8-6(1)3-11-9(12-8)13-7-4-10-5-7/h1-3,7,10H,4-5H2
InChIKeySIOCMVGVSOPJPN-UHFFFAOYSA-N
XLogP1.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine (CID 130510997) is 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine is c1cc2cnc(OC3CNC3)nc2s1.
What is the InChIKey of 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine?
The InChIKey is SIOCMVGVSOPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-2-14-8-6(1)3-11-9(12-8)13-7-4-10-5-7/h1-3,7,10H,4-5H2.
What are the key properties of 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine?
2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine has a molecular weight of 207.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 130510997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).