6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one

C21H17F2N5O2 — CID 3233173

IUPAC6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C21H17F2N5O2/c1-3-24-21-25-11-17-19(27-21)28(15-4-6-16(30-2)7-5-15)20(29)18(26-17)12-8-13(22)10-14(23)9-12/h4-11H,3H2,1-2H3,(H,24,25,27)
InChIKeyNWGLIZMLNUQTOP-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.56
Rot. Bonds5

About 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one

6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3233173) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one
PubChem CID3233173
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C21H17F2N5O2/c1-3-24-21-25-11-17-19(27-21)28(15-4-6-16(30-2)7-5-15)20(29)18(26-17)12-8-13(22)10-14(23)9-12/h4-11H,3H2,1-2H3,(H,24,25,27)
InChIKeyNWGLIZMLNUQTOP-UHFFFAOYSA-N
XLogP3.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-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 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one (CID 3233173) is 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one is CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(-c3ccc(OC)cc3)c2n1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is NWGLIZMLNUQTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-3-24-21-25-11-17-19(27-21)28(15-4-6-16(30-2)7-5-15)20(29)18(26-17)12-8-13(22)10-14(23)9-12/h4-11H,3H2,1-2H3,(H,24,25,27).
What are the key properties of 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 409.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-(ethylamino)-8-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3233173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).