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

C21H17F2N5O — CID 3234348

IUPAC2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C21H17F2N5O/c1-27(2)21-24-11-17-19(26-21)28(12-13-3-7-15(22)8-4-13)20(29)18(25-17)14-5-9-16(23)10-6-14/h3-11H,12H2,1-2H3
InChIKeyNEAKYDOWUBHCED-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.25
Rot. Bonds4

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

2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one (PubChem CID 3234348) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one
PubChem CID3234348
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C21H17F2N5O/c1-27(2)21-24-11-17-19(26-21)28(12-13-3-7-15(22)8-4-13)20(29)18(25-17)14-5-9-16(23)10-6-14/h3-11H,12H2,1-2H3
InChIKeyNEAKYDOWUBHCED-UHFFFAOYSA-N
XLogP3.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.25
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-[(4-fluorophenyl)methyl]pteridin-7-one?
The IUPAC name of 2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one (CID 3234348) is 2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one is CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one?
The InChIKey is NEAKYDOWUBHCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c1-27(2)21-24-11-17-19(26-21)28(12-13-3-7-15(22)8-4-13)20(29)18(25-17)14-5-9-16(23)10-6-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one?
2-(dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one has a molecular weight of 393.40 g/mol, XLogP of 3.25, 4 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-[(4-fluorophenyl)methyl]pteridin-7-one is sourced from PubChem (CID 3234348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).