2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

C18H15ClFN3O — CID 24747355

IUPAC2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(Nc2ccc(F)cc2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C18H14FN3O.ClH/c1-2-15-21-16-13-5-3-4-6-14(13)23-17(16)18(22-15)20-12-9-7-11(19)8-10-12;/h3-10H,2H2,1H3,(H,20,21,22);1H
InChIKeyOYGOSMITXOBORG-UHFFFAOYSA-N
MW343.79 g/mol
LogP5.24
Rot. Bonds3

About 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 24747355) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID24747355
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(Nc2ccc(F)cc2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C18H14FN3O.ClH/c1-2-15-21-16-13-5-3-4-6-14(13)23-17(16)18(22-15)20-12-9-7-11(19)8-10-12;/h3-10H,2H2,1H3,(H,20,21,22);1H
InChIKeyOYGOSMITXOBORG-UHFFFAOYSA-N
XLogP5.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.79
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 24747355) is 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCc1nc(Nc2ccc(F)cc2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is OYGOSMITXOBORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O.ClH/c1-2-15-21-16-13-5-3-4-6-14(13)23-17(16)18(22-15)20-12-9-7-11(19)8-10-12;/h3-10H,2H2,1H3,(H,20,21,22);1H.
What are the key properties of 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 343.79 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 24747355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).