5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

C14H13N3O2S — CID 6902781

IUPAC5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(/C=N/n2cnc3sc(C)c(C)c3c2=O)o1
InChIInChI=1S/C14H13N3O2S/c1-8-4-5-11(19-8)6-16-17-7-15-13-12(14(17)18)9(2)10(3)20-13/h4-7H,1-3H3/b16-6+
InChIKeyLKZGFRPNAQREFU-OMCISZLKSA-N
MW287.34 g/mol
LogP2.86
Rot. Bonds2

About 5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 6902781) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID6902781
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(/C=N/n2cnc3sc(C)c(C)c3c2=O)o1
InChIInChI=1S/C14H13N3O2S/c1-8-4-5-11(19-8)6-16-17-7-15-13-12(14(17)18)9(2)10(3)20-13/h4-7H,1-3H3/b16-6+
InChIKeyLKZGFRPNAQREFU-OMCISZLKSA-N
XLogP2.86
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.86
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)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 6902781) is 5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is Cc1ccc(/C=N/n2cnc3sc(C)c(C)c3c2=O)o1.
What is the InChIKey of 5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LKZGFRPNAQREFU-OMCISZLKSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-4-5-11(19-8)6-16-17-7-15-13-12(14(17)18)9(2)10(3)20-13/h4-7H,1-3H3/b16-6+.
What are the key properties of 5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 287.34 g/mol, XLogP of 2.86, 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)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6902781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).