3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one

C19H16FN3O2 — CID 45104394

IUPAC3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCCNc1nc2c(oc3ccccc32)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c1-2-11-21-19-22-16-14-5-3-4-6-15(14)25-17(16)18(24)23(19)13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyWKIAJYJDQUODBF-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.09
Rot. Bonds4

About 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one

3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 45104394) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID45104394
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCCNc1nc2c(oc3ccccc32)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O2/c1-2-11-21-19-22-16-14-5-3-4-6-15(14)25-17(16)18(24)23(19)13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyWKIAJYJDQUODBF-UHFFFAOYSA-N
XLogP4.09
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 45104394) is 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one is CCCNc1nc2c(oc3ccccc32)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is WKIAJYJDQUODBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-2-11-21-19-22-16-14-5-3-4-6-15(14)25-17(16)18(24)23(19)13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 337.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 45104394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).