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

C15H14N2O2S — CID 59351824

IUPAC5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1csc2[nH]c(=O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C15H14N2O2S/c1-10-9-20-13-12(10)14(18)17(15(19)16-13)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19)
InChIKeySYOKKRFHSHMBFO-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.30
Rot. Bonds3

About 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 59351824) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID59351824
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1csc2[nH]c(=O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C15H14N2O2S/c1-10-9-20-13-12(10)14(18)17(15(19)16-13)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19)
InChIKeySYOKKRFHSHMBFO-UHFFFAOYSA-N
XLogP2.30
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 59351824) is 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1csc2[nH]c(=O)n(CCc3ccccc3)c(=O)c12.
What is the InChIKey of 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SYOKKRFHSHMBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-9-20-13-12(10)14(18)17(15(19)16-13)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19).
What are the key properties of 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 286.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 59351824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).