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

C13H10N2OS — CID 948701

IUPAC3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C13H10N2OS/c1-15-8-14-12-10(13(15)16)7-11(17-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyZAPYEBHYIXCJPF-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.66
Rot. Bonds1

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

3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 948701) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID948701
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C13H10N2OS/c1-15-8-14-12-10(13(15)16)7-11(17-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyZAPYEBHYIXCJPF-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 948701) is 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one is Cn1cnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZAPYEBHYIXCJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-15-8-14-12-10(13(15)16)7-11(17-12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 242.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 948701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).