3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one

C20H16N2O2S — CID 2077545

IUPAC3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-16-9-7-15(8-10-16)17-12-25-19-18(17)20(23)22(13-21-19)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
InChIKeyRWRNQUOJQZDDQB-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.18
Rot. Bonds4

About 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one

3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 2077545) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID2077545
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-16-9-7-15(8-10-16)17-12-25-19-18(17)20(23)22(13-21-19)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
InChIKeyRWRNQUOJQZDDQB-UHFFFAOYSA-N
XLogP4.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 727650
Necrostatin-5
CID 1913406
6-(4-methoxyphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135421655
5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652089
5-(benzamidomethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652191
5-(benzylsulfanylmethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652211
N-[(3-methoxyphenyl)methyl]-5-[[4-(methylcarbamoyl)phenyl]methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652260
5-[[4-(methoxymethyl)phenyl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652386
N-[(3-methoxyphenyl)methyl]-4-oxo-5-(phenylmethoxymethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 69245137
2-(4-methoxyphenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 951414
3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 6874813
3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]-propylsulfanyl}-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 10504100

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one (CID 2077545) is 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1.
What is the InChIKey of 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RWRNQUOJQZDDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-24-16-9-7-15(8-10-16)17-12-25-19-18(17)20(23)22(13-21-19)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3.
What are the key properties of 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 348.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2077545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).