8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one

C21H17FN4O — CID 3233636

IUPAC8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C21H17FN4O/c22-17-9-6-16(7-10-17)13-26-20-19(12-23-14-24-20)25-18(21(26)27)11-8-15-4-2-1-3-5-15/h1-7,9-10,12,14H,8,11,13H2
InChIKeyKUVIUCONEVBFLW-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.16
Rot. Bonds5

About 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one

8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3233636) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
PubChem CID3233636
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C21H17FN4O/c22-17-9-6-16(7-10-17)13-26-20-19(12-23-14-24-20)25-18(21(26)27)11-8-15-4-2-1-3-5-15/h1-7,9-10,12,14H,8,11,13H2
InChIKeyKUVIUCONEVBFLW-UHFFFAOYSA-N
XLogP3.16
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one (CID 3233636) is 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one is O=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is KUVIUCONEVBFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-17-9-6-16(7-10-17)13-26-20-19(12-23-14-24-20)25-18(21(26)27)11-8-15-4-2-1-3-5-15/h1-7,9-10,12,14H,8,11,13H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 360.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3233636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).