6,7-bis(4-fluorophenyl)-3H-pteridin-4-one

C18H10F2N4O — CID 135421250

IUPAC6,7-bis(4-fluorophenyl)-3H-pteridin-4-one
SMILESO=c1[nH]cnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H10F2N4O/c19-12-5-1-10(2-6-12)14-15(11-3-7-13(20)8-4-11)24-17-16(23-14)18(25)22-9-21-17/h1-9H,(H,21,22,24,25)
InChIKeyANUYUHYVAXDKID-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.33
Rot. Bonds2

About 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one

6,7-bis(4-fluorophenyl)-3H-pteridin-4-one (PubChem CID 135421250) has the molecular formula C18H10F2N4O and a molecular weight of 336.30 g/mol. Its IUPAC name is 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name6,7-bis(4-fluorophenyl)-3H-pteridin-4-one
PubChem CID135421250
Molecular FormulaC18H10F2N4O
Molecular Weight336.30 g/mol
Exact Mass336.08
IUPAC Name6,7-bis(4-fluorophenyl)-3H-pteridin-4-one
SMILESO=c1[nH]cnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H10F2N4O/c19-12-5-1-10(2-6-12)14-15(11-3-7-13(20)8-4-11)24-17-16(23-14)18(25)22-9-21-17/h1-9H,(H,21,22,24,25)
InChIKeyANUYUHYVAXDKID-UHFFFAOYSA-N
XLogP3.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one?
The IUPAC name of 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one (CID 135421250) is 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one.
What is the SMILES notation for 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one?
The canonical SMILES for 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one is O=c1[nH]cnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one?
The InChIKey is ANUYUHYVAXDKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N4O/c19-12-5-1-10(2-6-12)14-15(11-3-7-13(20)8-4-11)24-17-16(23-14)18(25)22-9-21-17/h1-9H,(H,21,22,24,25).
What are the key properties of 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one?
6,7-bis(4-fluorophenyl)-3H-pteridin-4-one has a molecular weight of 336.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-fluorophenyl)-3H-pteridin-4-one is sourced from PubChem (CID 135421250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).