3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one

C17H12N4O2S — CID 135154981

IUPAC3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cn1
InChIInChI=1S/C17H12N4O2S/c1-23-14-5-4-12(10-19-14)21-16(11-3-2-7-18-9-11)20-13-6-8-24-15(13)17(21)22/h2-10H,1H3
InChIKeyLYVCSNUACUVVTC-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.91
Rot. Bonds3

About 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one

3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one (PubChem CID 135154981) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one
PubChem CID135154981
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cn1
InChIInChI=1S/C17H12N4O2S/c1-23-14-5-4-12(10-19-14)21-16(11-3-2-7-18-9-11)20-13-6-8-24-15(13)17(21)22/h2-10H,1H3
InChIKeyLYVCSNUACUVVTC-UHFFFAOYSA-N
XLogP2.91
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one (CID 135154981) is 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2c(-c3cccnc3)nc3ccsc3c2=O)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is LYVCSNUACUVVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-23-14-5-4-12(10-19-14)21-16(11-3-2-7-18-9-11)20-13-6-8-24-15(13)17(21)22/h2-10H,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 336.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135154981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).