3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one

C13H12N4OS — CID 118724085

IUPAC3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2cccnc2)nc2ccsc2c1=O
InChIInChI=1S/C13H12N4OS/c1-2-17-12(18)11-10(5-7-19-11)16-13(17)15-9-4-3-6-14-8-9/h3-8H,2H2,1H3,(H,15,16)
InChIKeyFRVWJUYTMOAJOL-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.62
Rot. Bonds3

About 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one

3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118724085) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118724085
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2cccnc2)nc2ccsc2c1=O
InChIInChI=1S/C13H12N4OS/c1-2-17-12(18)11-10(5-7-19-11)16-13(17)15-9-4-3-6-14-8-9/h3-8H,2H2,1H3,(H,15,16)
InChIKeyFRVWJUYTMOAJOL-UHFFFAOYSA-N
XLogP2.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one (CID 118724085) is 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one is CCn1c(Nc2cccnc2)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FRVWJUYTMOAJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-2-17-12(18)11-10(5-7-19-11)16-13(17)15-9-4-3-6-14-8-9/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 272.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(pyridin-3-ylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118724085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).