8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one

C20H15FN4O2 — CID 3235130

IUPAC8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one
SMILESO=c1cnc2cnc(OCc3ccccc3)nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2/c21-16-8-6-14(7-9-16)12-25-18(26)11-22-17-10-23-20(24-19(17)25)27-13-15-4-2-1-3-5-15/h1-11H,12-13H2
InChIKeyOCRFPGKQVOPKJT-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.95
Rot. Bonds5

About 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one

8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one (PubChem CID 3235130) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one
PubChem CID3235130
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one
SMILESO=c1cnc2cnc(OCc3ccccc3)nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2/c21-16-8-6-14(7-9-16)12-25-18(26)11-22-17-10-23-20(24-19(17)25)27-13-15-4-2-1-3-5-15/h1-11H,12-13H2
InChIKeyOCRFPGKQVOPKJT-UHFFFAOYSA-N
XLogP2.95
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one (CID 3235130) is 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one is O=c1cnc2cnc(OCc3ccccc3)nc2n1Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one?
The InChIKey is OCRFPGKQVOPKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-16-8-6-14(7-9-16)12-25-18(26)11-22-17-10-23-20(24-19(17)25)27-13-15-4-2-1-3-5-15/h1-11H,12-13H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one?
8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one has a molecular weight of 362.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-2-phenylmethoxypteridin-7-one is sourced from PubChem (CID 3235130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).