6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one

C12H15N3O2S — CID 852927

IUPAC6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(N3CCOCC3)nc2s1
InChIInChI=1S/C12H15N3O2S/c1-2-8-7-9-10(16)13-12(14-11(9)18-8)15-3-5-17-6-4-15/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyLKPRHOACTXPPMC-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.38
Rot. Bonds2

About 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one

6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 852927) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID852927
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(N3CCOCC3)nc2s1
InChIInChI=1S/C12H15N3O2S/c1-2-8-7-9-10(16)13-12(14-11(9)18-8)15-3-5-17-6-4-15/h7H,2-6H2,1H3,(H,13,14,16)
InChIKeyLKPRHOACTXPPMC-UHFFFAOYSA-N
XLogP1.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 852927) is 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(N3CCOCC3)nc2s1.
What is the InChIKey of 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LKPRHOACTXPPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-8-7-9-10(16)13-12(14-11(9)18-8)15-3-5-17-6-4-15/h7H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 265.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 852927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).