3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one

C12H9N3OS — CID 134810856

IUPAC3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(-c3ccsc3)nc2c1=O
InChIInChI=1S/C12H9N3OS/c1-15-7-13-10-3-2-9(8-4-5-17-6-8)14-11(10)12(15)16/h2-7H,1H3
InChIKeyYDKQHSDIVGJVRB-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.06
Rot. Bonds1

About 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one

3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810856) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
PubChem CID134810856
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(-c3ccsc3)nc2c1=O
InChIInChI=1S/C12H9N3OS/c1-15-7-13-10-3-2-9(8-4-5-17-6-8)14-11(10)12(15)16/h2-7H,1H3
InChIKeyYDKQHSDIVGJVRB-UHFFFAOYSA-N
XLogP2.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one (CID 134810856) is 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one is Cn1cnc2ccc(-c3ccsc3)nc2c1=O.
What is the InChIKey of 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is YDKQHSDIVGJVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-15-7-13-10-3-2-9(8-4-5-17-6-8)14-11(10)12(15)16/h2-7H,1H3.
What are the key properties of 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one?
3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 243.29 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).