7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

C13H10N2O2S — CID 135856872

IUPAC7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(-c2csc3c(=O)[nH]cnc23)c1
InChIInChI=1S/C13H10N2O2S/c1-17-9-4-2-3-8(5-9)10-6-18-12-11(10)14-7-15-13(12)16/h2-7H,1H3,(H,14,15,16)
InChIKeyKVXQLPQFXSGRLS-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.66
Rot. Bonds2

About 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135856872) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135856872
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(-c2csc3c(=O)[nH]cnc23)c1
InChIInChI=1S/C13H10N2O2S/c1-17-9-4-2-3-8(5-9)10-6-18-12-11(10)14-7-15-13(12)16/h2-7H,1H3,(H,14,15,16)
InChIKeyKVXQLPQFXSGRLS-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135856872) is 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is COc1cccc(-c2csc3c(=O)[nH]cnc23)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KVXQLPQFXSGRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-9-4-2-3-8(5-9)10-6-18-12-11(10)14-7-15-13(12)16/h2-7H,1H3,(H,14,15,16).
What are the key properties of 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 258.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135856872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).