5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

C14H12N4OS — CID 6863326

IUPAC5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(/N=C/c3ccccn3)c(=O)c2c1C
InChIInChI=1S/C14H12N4OS/c1-9-10(2)20-13-12(9)14(19)18(8-16-13)17-7-11-5-3-4-6-15-11/h3-8H,1-2H3/b17-7+
InChIKeyUDBHJRXKCFVSAQ-REZTVBANSA-N
MW284.34 g/mol
LogP2.35
Rot. Bonds2

About 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 6863326) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID6863326
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(/N=C/c3ccccn3)c(=O)c2c1C
InChIInChI=1S/C14H12N4OS/c1-9-10(2)20-13-12(9)14(19)18(8-16-13)17-7-11-5-3-4-6-15-11/h3-8H,1-2H3/b17-7+
InChIKeyUDBHJRXKCFVSAQ-REZTVBANSA-N
XLogP2.35
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 6863326) is 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(/N=C/c3ccccn3)c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is UDBHJRXKCFVSAQ-REZTVBANSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-10(2)20-13-12(9)14(19)18(8-16-13)17-7-11-5-3-4-6-15-11/h3-8H,1-2H3/b17-7+.
What are the key properties of 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 284.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6863326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).