2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one

C22H20FN5O — CID 3235006

IUPAC2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C22H20FN5O/c1-27(2)22-24-14-18-20(26-22)28(13-12-15-6-4-3-5-7-15)21(29)19(25-18)16-8-10-17(23)11-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyGINHARQEZJAYHT-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.30
Rot. Bonds5

About 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one

2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one (PubChem CID 3235006) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one
PubChem CID3235006
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C22H20FN5O/c1-27(2)22-24-14-18-20(26-22)28(13-12-15-6-4-3-5-7-15)21(29)19(25-18)16-8-10-17(23)11-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyGINHARQEZJAYHT-UHFFFAOYSA-N
XLogP3.30
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one (CID 3235006) is 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one is CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCc3ccccc3)c2n1.
What is the InChIKey of 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one?
The InChIKey is GINHARQEZJAYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-27(2)22-24-14-18-20(26-22)28(13-12-15-6-4-3-5-7-15)21(29)19(25-18)16-8-10-17(23)11-9-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one?
2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one has a molecular weight of 389.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3235006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).