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

C19H14N4OS — CID 6902460

IUPAC6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(/N=C/c3cccnc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C19H14N4OS/c1-13-16(15-7-3-2-4-8-15)17-18(25-13)21-12-23(19(17)24)22-11-14-6-5-9-20-10-14/h2-12H,1H3/b22-11+
InChIKeyGWOMFTBKPFNDII-SSDVNMTOSA-N
MW346.42 g/mol
LogP3.71
Rot. Bonds3

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

6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 6902460) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID6902460
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(/N=C/c3cccnc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C19H14N4OS/c1-13-16(15-7-3-2-4-8-15)17-18(25-13)21-12-23(19(17)24)22-11-14-6-5-9-20-10-14/h2-12H,1H3/b22-11+
InChIKeyGWOMFTBKPFNDII-SSDVNMTOSA-N
XLogP3.71
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.71
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 6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 6902460) is 6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(/N=C/c3cccnc3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GWOMFTBKPFNDII-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-13-16(15-7-3-2-4-8-15)17-18(25-13)21-12-23(19(17)24)22-11-14-6-5-9-20-10-14/h2-12H,1H3/b22-11+.
What are the key properties of 6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 346.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6902460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).