3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C15H13N3O2S — CID 135770657

IUPAC3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(N=Cc3ccccc3O)c(=O)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-9-10(2)21-14-13(9)15(20)18(8-16-14)17-7-11-5-3-4-6-12(11)19/h3-8,19H,1-2H3
InChIKeyJMBJEHRJEQVMFM-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.66
Rot. Bonds2

About 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 135770657) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID135770657
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(N=Cc3ccccc3O)c(=O)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-9-10(2)21-14-13(9)15(20)18(8-16-14)17-7-11-5-3-4-6-12(11)19/h3-8,19H,1-2H3
InChIKeyJMBJEHRJEQVMFM-UHFFFAOYSA-N
XLogP2.66
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 135770657) is 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(N=Cc3ccccc3O)c(=O)c2c1C.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is JMBJEHRJEQVMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-10(2)21-14-13(9)15(20)18(8-16-14)17-7-11-5-3-4-6-12(11)19/h3-8,19H,1-2H3.
What are the key properties of 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 299.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135770657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).