2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane

C11H16N2OS — CID 145287057

IUPAC2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane
SMILESCCC.CCc1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C8H8N2OS.C3H8/c1-2-6-9-7(11)5-3-4-12-8(5)10-6;1-3-2/h3-4H,2H2,1H3,(H,9,10,11);3H2,1-2H3
InChIKeyCYVMZVFEXZNNIC-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.96
Rot. Bonds1

About 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane

2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane (PubChem CID 145287057) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane.

Molecular Properties

Compound Name2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane
PubChem CID145287057
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane
SMILESCCC.CCc1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C8H8N2OS.C3H8/c1-2-6-9-7(11)5-3-4-12-8(5)10-6;1-3-2/h3-4H,2H2,1H3,(H,9,10,11);3H2,1-2H3
InChIKeyCYVMZVFEXZNNIC-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl-bis[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium
CID 7987057
2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methoxy]acetic acid
CID 61328113
2-(2-amino-2-ethylbutyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82147787
2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 71068430
2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82104586
2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 12620074
2-[(2,6-dichlorophenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 39536357
5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868331
3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 137274403
2-[(Z)-1-(2-tert-butylpyrimidin-5-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 167864848
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 43051047
2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 57164201

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane?
The IUPAC name of 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane (CID 145287057) is 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane.
What is the SMILES notation for 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane?
The canonical SMILES for 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane is CCC.CCc1nc2sccc2c(=O)[nH]1.
What is the InChIKey of 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane?
The InChIKey is CYVMZVFEXZNNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS.C3H8/c1-2-6-9-7(11)5-3-4-12-8(5)10-6;1-3-2/h3-4H,2H2,1H3,(H,9,10,11);3H2,1-2H3.
What are the key properties of 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane?
2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane has a molecular weight of 224.33 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane is sourced from PubChem (CID 145287057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).