4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine

C11H6N4OS — CID 143216106

IUPAC4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine
SMILESO=Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C11H6N4OS/c16-15-9-7-4-6-17-11(7)14-10(13-9)8-3-1-2-5-12-8/h1-6H
InChIKeyYZZDTPPZVJHZKH-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.15
Rot. Bonds2

About 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine

4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine (PubChem CID 143216106) has the molecular formula C11H6N4OS and a molecular weight of 242.26 g/mol. Its IUPAC name is 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine
PubChem CID143216106
Molecular FormulaC11H6N4OS
Molecular Weight242.26 g/mol
Exact Mass242.03
IUPAC Name4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine
SMILESO=Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C11H6N4OS/c16-15-9-7-4-6-17-11(7)14-10(13-9)8-3-1-2-5-12-8/h1-6H
InChIKeyYZZDTPPZVJHZKH-UHFFFAOYSA-N
XLogP3.15
TPSA68.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine (CID 143216106) is 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine is O=Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is YZZDTPPZVJHZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4OS/c16-15-9-7-4-6-17-11(7)14-10(13-9)8-3-1-2-5-12-8/h1-6H.
What are the key properties of 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine?
4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 242.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 143216106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).