2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one

C21H18FN5O — CID 3232952

IUPAC2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C21H18FN5O/c1-2-23-21-24-12-17-19(26-21)27(13-14-8-10-16(22)11-9-14)20(28)18(25-17)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,24,26)
InChIKeyNCODOJIJRGZQRP-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.47
Rot. Bonds5

About 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one

2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one (PubChem CID 3232952) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
PubChem CID3232952
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C21H18FN5O/c1-2-23-21-24-12-17-19(26-21)27(13-14-8-10-16(22)11-9-14)20(28)18(25-17)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,24,26)
InChIKeyNCODOJIJRGZQRP-UHFFFAOYSA-N
XLogP3.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-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)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one (CID 3232952) is 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one is CCNc1ncc2nc(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
The InChIKey is NCODOJIJRGZQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-2-23-21-24-12-17-19(26-21)27(13-14-8-10-16(22)11-9-14)20(28)18(25-17)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,24,26).
What are the key properties of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one has a molecular weight of 375.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one is sourced from PubChem (CID 3232952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).