5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C16H14F3N3OS — CID 60527927

IUPAC5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(Cc3ccc(C(F)(F)F)cn3)[nH]c(=O)c12
InChIInChI=1S/C16H14F3N3OS/c1-3-11-8(2)24-15-13(11)14(23)21-12(22-15)6-10-5-4-9(7-20-10)16(17,18)19/h4-5,7H,3,6H2,1-2H3,(H,21,22,23)
InChIKeyDFBWILKZIVZJRJ-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.86
Rot. Bonds3

About 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 60527927) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID60527927
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(Cc3ccc(C(F)(F)F)cn3)[nH]c(=O)c12
InChIInChI=1S/C16H14F3N3OS/c1-3-11-8(2)24-15-13(11)14(23)21-12(22-15)6-10-5-4-9(7-20-10)16(17,18)19/h4-5,7H,3,6H2,1-2H3,(H,21,22,23)
InChIKeyDFBWILKZIVZJRJ-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 60527927) is 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is CCc1c(C)sc2nc(Cc3ccc(C(F)(F)F)cn3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DFBWILKZIVZJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-3-11-8(2)24-15-13(11)14(23)21-12(22-15)6-10-5-4-9(7-20-10)16(17,18)19/h4-5,7H,3,6H2,1-2H3,(H,21,22,23).
What are the key properties of 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 353.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 60527927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).