3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

C14H12N2O3S — CID 45030945

IUPAC3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-10-4-2-9(3-5-10)8-16-13(17)12-11(6-7-20-12)15-14(16)18/h2-7H,8H2,1H3,(H,15,18)
InChIKeyGBVIVVHEVHMWEO-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.81
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 45030945) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID45030945
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-10-4-2-9(3-5-10)8-16-13(17)12-11(6-7-20-12)15-14(16)18/h2-7H,8H2,1H3,(H,15,18)
InChIKeyGBVIVVHEVHMWEO-UHFFFAOYSA-N
XLogP1.81
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 45030945) is 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is GBVIVVHEVHMWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-10-4-2-9(3-5-10)8-16-13(17)12-11(6-7-20-12)15-14(16)18/h2-7H,8H2,1H3,(H,15,18).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 288.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 45030945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).