6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

C15H12FN3OS — CID 7993958

IUPAC6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3cccc(F)c3)cnc2s1
InChIInChI=1S/C15H12FN3OS/c1-2-12-7-13-14(21-12)17-9-19(15(13)20)18-8-10-4-3-5-11(16)6-10/h3-9H,2H2,1H3/b18-8-
InChIKeyTVXUNCZXOHCLIV-LSCVHKIXSA-N
MW301.35 g/mol
LogP3.04
Rot. Bonds3

About 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 7993958) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID7993958
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3cccc(F)c3)cnc2s1
InChIInChI=1S/C15H12FN3OS/c1-2-12-7-13-14(21-12)17-9-19(15(13)20)18-8-10-4-3-5-11(16)6-10/h3-9H,2H2,1H3/b18-8-
InChIKeyTVXUNCZXOHCLIV-LSCVHKIXSA-N
XLogP3.04
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 7993958) is 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(/N=C\c3cccc(F)c3)cnc2s1.
What is the InChIKey of 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is TVXUNCZXOHCLIV-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-2-12-7-13-14(21-12)17-9-19(15(13)20)18-8-10-4-3-5-11(16)6-10/h3-9H,2H2,1H3/b18-8-.
What are the key properties of 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 301.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7993958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).