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

C18H19N3OS — CID 7951748

IUPAC6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3c(C)cc(C)cc3C)cnc2s1
InChIInChI=1S/C18H19N3OS/c1-5-14-8-15-17(23-14)19-10-21(18(15)22)20-9-16-12(3)6-11(2)7-13(16)4/h6-10H,5H2,1-4H3/b20-9-
InChIKeyHKFZNNVHTBQOFG-UKWGHVSLSA-N
MW325.44 g/mol
LogP3.83
Rot. Bonds3

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

6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 7951748) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID7951748
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3c(C)cc(C)cc3C)cnc2s1
InChIInChI=1S/C18H19N3OS/c1-5-14-8-15-17(23-14)19-10-21(18(15)22)20-9-16-12(3)6-11(2)7-13(16)4/h6-10H,5H2,1-4H3/b20-9-
InChIKeyHKFZNNVHTBQOFG-UKWGHVSLSA-N
XLogP3.83
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.83
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)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 7951748) is 6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(/N=C\c3c(C)cc(C)cc3C)cnc2s1.
What is the InChIKey of 6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HKFZNNVHTBQOFG-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-5-14-8-15-17(23-14)19-10-21(18(15)22)20-9-16-12(3)6-11(2)7-13(16)4/h6-10H,5H2,1-4H3/b20-9-.
What are the key properties of 6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 325.44 g/mol, XLogP of 3.83, 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)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7951748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).