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

C15H14N2O3S — CID 56771772

IUPAC3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C(C)n2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C15H14N2O3S/c1-9(10-3-5-11(20-2)6-4-10)17-14(18)13-12(7-8-21-13)16-15(17)19/h3-9H,1-2H3,(H,16,19)
InChIKeySQOMLJUZDPCIDY-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.37
Rot. Bonds3

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

3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 56771772) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID56771772
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C(C)n2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C15H14N2O3S/c1-9(10-3-5-11(20-2)6-4-10)17-14(18)13-12(7-8-21-13)16-15(17)19/h3-9H,1-2H3,(H,16,19)
InChIKeySQOMLJUZDPCIDY-UHFFFAOYSA-N
XLogP2.37
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 56771772) is 3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is COc1ccc(C(C)n2c(=O)[nH]c3ccsc3c2=O)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is SQOMLJUZDPCIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9(10-3-5-11(20-2)6-4-10)17-14(18)13-12(7-8-21-13)16-15(17)19/h3-9H,1-2H3,(H,16,19).
What are the key properties of 3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 302.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56771772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).