6-(4-fluorophenyl)-8-methylpteridin-7-one

C13H9FN4O — CID 3232821

IUPAC6-(4-fluorophenyl)-8-methylpteridin-7-one
SMILESCn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21
InChIInChI=1S/C13H9FN4O/c1-18-12-10(6-15-7-16-12)17-11(13(18)19)8-2-4-9(14)5-3-8/h2-7H,1H3
InChIKeyBGQSYUNCTDRLBR-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.53
Rot. Bonds1

About 6-(4-fluorophenyl)-8-methylpteridin-7-one

6-(4-fluorophenyl)-8-methylpteridin-7-one (PubChem CID 3232821) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methylpteridin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methylpteridin-7-one
PubChem CID3232821
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name6-(4-fluorophenyl)-8-methylpteridin-7-one
SMILESCn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21
InChIInChI=1S/C13H9FN4O/c1-18-12-10(6-15-7-16-12)17-11(13(18)19)8-2-4-9(14)5-3-8/h2-7H,1H3
InChIKeyBGQSYUNCTDRLBR-UHFFFAOYSA-N
XLogP1.53
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methylpteridin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-8-methylpteridin-7-one (CID 3232821) is 6-(4-fluorophenyl)-8-methylpteridin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methylpteridin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-methylpteridin-7-one is Cn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21.
What is the InChIKey of 6-(4-fluorophenyl)-8-methylpteridin-7-one?
The InChIKey is BGQSYUNCTDRLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c1-18-12-10(6-15-7-16-12)17-11(13(18)19)8-2-4-9(14)5-3-8/h2-7H,1H3.
What are the key properties of 6-(4-fluorophenyl)-8-methylpteridin-7-one?
6-(4-fluorophenyl)-8-methylpteridin-7-one has a molecular weight of 256.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methylpteridin-7-one is sourced from PubChem (CID 3232821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).