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

C15H14FN5O — CID 3233239

IUPAC2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1
InChIInChI=1S/C15H14FN5O/c1-3-17-15-18-8-11-13(20-15)21(2)14(22)12(19-11)9-4-6-10(16)7-5-9/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyIMILAJWCMBGDGC-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.96
Rot. Bonds3

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

2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one (PubChem CID 3233239) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one
PubChem CID3233239
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1
InChIInChI=1S/C15H14FN5O/c1-3-17-15-18-8-11-13(20-15)21(2)14(22)12(19-11)9-4-6-10(16)7-5-9/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyIMILAJWCMBGDGC-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one (CID 3233239) is 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one is CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1.
What is the InChIKey of 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one?
The InChIKey is IMILAJWCMBGDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-3-17-15-18-8-11-13(20-15)21(2)14(22)12(19-11)9-4-6-10(16)7-5-9/h4-8H,3H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one?
2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one has a molecular weight of 299.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one is sourced from PubChem (CID 3233239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).