1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione

C11H12N2O2S — CID 66697344

IUPAC1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
SMILESC=CCc1csc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H12N2O2S/c1-4-5-7-6-16-10-8(7)9(14)12(2)11(15)13(10)3/h4,6H,1,5H2,2-3H3
InChIKeyQWTKFMUZOGDHTR-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.03
Rot. Bonds2

About 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 66697344) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID66697344
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
SMILESC=CCc1csc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H12N2O2S/c1-4-5-7-6-16-10-8(7)9(14)12(2)11(15)13(10)3/h4,6H,1,5H2,2-3H3
InChIKeyQWTKFMUZOGDHTR-UHFFFAOYSA-N
XLogP1.03
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione (CID 66697344) is 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione is C=CCc1csc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QWTKFMUZOGDHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-4-5-7-6-16-10-8(7)9(14)12(2)11(15)13(10)3/h4,6H,1,5H2,2-3H3.
What are the key properties of 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 236.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66697344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).