3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one

C13H10FN3OS — CID 64768870

IUPAC3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESNc1ccc(Cn2cnc3ccsc3c2=O)c(F)c1
InChIInChI=1S/C13H10FN3OS/c14-10-5-9(15)2-1-8(10)6-17-7-16-11-3-4-19-12(11)13(17)18/h1-5,7H,6,15H2
InChIKeyFSALSPQMQXAAJD-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.23
Rot. Bonds2

About 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 64768870) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID64768870
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESNc1ccc(Cn2cnc3ccsc3c2=O)c(F)c1
InChIInChI=1S/C13H10FN3OS/c14-10-5-9(15)2-1-8(10)6-17-7-16-11-3-4-19-12(11)13(17)18/h1-5,7H,6,15H2
InChIKeyFSALSPQMQXAAJD-UHFFFAOYSA-N
XLogP2.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 64768870) is 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one is Nc1ccc(Cn2cnc3ccsc3c2=O)c(F)c1.
What is the InChIKey of 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FSALSPQMQXAAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c14-10-5-9(15)2-1-8(10)6-17-7-16-11-3-4-19-12(11)13(17)18/h1-5,7H,6,15H2.
What are the key properties of 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 275.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 64768870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).