1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione

C15H14N2O2S — CID 6486271

IUPAC1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H14N2O2S/c1-2-16-14(18)13-12(8-9-20-13)17(15(16)19)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyULKGVHIDYFNDPJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.29
Rot. Bonds3

About 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione

1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 6486271) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione
PubChem CID6486271
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H14N2O2S/c1-2-16-14(18)13-12(8-9-20-13)17(15(16)19)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyULKGVHIDYFNDPJ-UHFFFAOYSA-N
XLogP2.29
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione (CID 6486271) is 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione is CCn1c(=O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ULKGVHIDYFNDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-16-14(18)13-12(8-9-20-13)17(15(16)19)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione?
1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 286.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethylthieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 6486271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).