5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine

C11H14I2N2O2S — CID 157445527

IUPAC5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine
SMILESCCc1c(C)sc2c1c(=O)n(C)c(=O)n2C.II
InChIInChI=1S/C11H14N2O2S.I2/c1-5-7-6(2)16-10-8(7)9(14)12(3)11(15)13(10)4;1-2/h5H2,1-4H3;
InChIKeyBSEFBLVWDAEWRU-UHFFFAOYSA-N
MW492.12 g/mol
LogP2.94
Rot. Bonds1

About 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine

5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine (PubChem CID 157445527) has the molecular formula C11H14I2N2O2S and a molecular weight of 492.12 g/mol. Its IUPAC name is 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine.

Molecular Properties

Compound Name5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine
PubChem CID157445527
Molecular FormulaC11H14I2N2O2S
Molecular Weight492.12 g/mol
Exact Mass491.89
IUPAC Name5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine
SMILESCCc1c(C)sc2c1c(=O)n(C)c(=O)n2C.II
InChIInChI=1S/C11H14N2O2S.I2/c1-5-7-6(2)16-10-8(7)9(14)12(3)11(15)13(10)4;1-2/h5H2,1-4H3;
InChIKeyBSEFBLVWDAEWRU-UHFFFAOYSA-N
XLogP2.94
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.12
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3,5-trimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbaldehyde
CID 20692617
5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82342085
1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384965
6-bromo-5-(bromomethyl)-3-butyl-1-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 122543882
N-[4-[4-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)acetamide
CID 46926860
1-ethyl-3,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 69325069
3-(1,5-dimethylpyrazol-3-yl)-5-ethyl-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 17375736
5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
CID 67989896
5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 95945251
1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
CID 66697344
1,5-dimethyl-6-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-3-propylthieno[2,3-d]pyrimidine-2,4-dione
CID 69321223
5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione
CID 4153777

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine?
The IUPAC name of 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine (CID 157445527) is 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine.
What is the SMILES notation for 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine?
The canonical SMILES for 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine is CCc1c(C)sc2c1c(=O)n(C)c(=O)n2C.II.
What is the InChIKey of 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine?
The InChIKey is BSEFBLVWDAEWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S.I2/c1-5-7-6(2)16-10-8(7)9(14)12(3)11(15)13(10)4;1-2/h5H2,1-4H3;.
What are the key properties of 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine?
5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine has a molecular weight of 492.12 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,6-trimethylthieno[2,3-d]pyrimidine-2,4-dione;molecular iodine is sourced from PubChem (CID 157445527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).