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

C15H14FN5O — CID 3233090

IUPAC2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1
InChIInChI=1S/C15H14FN5O/c1-20(2)15-17-8-11-13(19-15)21(3)14(22)12(18-11)9-4-6-10(16)7-5-9/h4-8H,1-3H3
InChIKeyKFEHRDMGTMMUDB-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.60
Rot. Bonds2

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

2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one (PubChem CID 3233090) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one
PubChem CID3233090
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1
InChIInChI=1S/C15H14FN5O/c1-20(2)15-17-8-11-13(19-15)21(3)14(22)12(18-11)9-4-6-10(16)7-5-9/h4-8H,1-3H3
InChIKeyKFEHRDMGTMMUDB-UHFFFAOYSA-N
XLogP1.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.60
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-methylpteridin-7-one?
The IUPAC name of 2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one (CID 3233090) is 2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one is CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1.
What is the InChIKey of 2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one?
The InChIKey is KFEHRDMGTMMUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-20(2)15-17-8-11-13(19-15)21(3)14(22)12(18-11)9-4-6-10(16)7-5-9/h4-8H,1-3H3.
What are the key properties of 2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one?
2-(dimethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one has a molecular weight of 299.31 g/mol, XLogP of 1.60, 2 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-methylpteridin-7-one is sourced from PubChem (CID 3233090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).