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

C15H14N2O2S — CID 56771750

IUPAC3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(CCn2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C15H14N2O2S/c1-10-2-4-11(5-3-10)6-8-17-14(18)13-12(7-9-20-13)16-15(17)19/h2-5,7,9H,6,8H2,1H3,(H,16,19)
InChIKeyNNVMBGHZTMVGBR-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.30
Rot. Bonds3

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

3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 56771750) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID56771750
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc(CCn2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C15H14N2O2S/c1-10-2-4-11(5-3-10)6-8-17-14(18)13-12(7-9-20-13)16-15(17)19/h2-5,7,9H,6,8H2,1H3,(H,16,19)
InChIKeyNNVMBGHZTMVGBR-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 3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 56771750) is 3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is Cc1ccc(CCn2c(=O)[nH]c3ccsc3c2=O)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is NNVMBGHZTMVGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-2-4-11(5-3-10)6-8-17-14(18)13-12(7-9-20-13)16-15(17)19/h2-5,7,9H,6,8H2,1H3,(H,16,19).
What are the key properties of 3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-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 3-[2-(4-methylphenyl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56771750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).