3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one

C16H14N2OS2 — CID 102685698

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CC3Cc4ccccc4S3)cnc12
InChIInChI=1S/C16H14N2OS2/c1-10-8-20-15-14(10)17-9-18(16(15)19)7-12-6-11-4-2-3-5-13(11)21-12/h2-5,8-9,12H,6-7H2,1H3
InChIKeyHYEZVPLOUTZEQH-UHFFFAOYSA-N
MW314.44 g/mol
LogP3.48
Rot. Bonds2

About 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685698) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685698
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CC3Cc4ccccc4S3)cnc12
InChIInChI=1S/C16H14N2OS2/c1-10-8-20-15-14(10)17-9-18(16(15)19)7-12-6-11-4-2-3-5-13(11)21-12/h2-5,8-9,12H,6-7H2,1H3
InChIKeyHYEZVPLOUTZEQH-UHFFFAOYSA-N
XLogP3.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685698) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(CC3Cc4ccccc4S3)cnc12.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is HYEZVPLOUTZEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-10-8-20-15-14(10)17-9-18(16(15)19)7-12-6-11-4-2-3-5-13(11)21-12/h2-5,8-9,12H,6-7H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one?
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 314.44 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).