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

C22H20FN5O2 — CID 3235103

IUPAC2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C22H20FN5O2/c1-3-24-22-25-12-18-20(27-22)28(13-14-4-8-16(23)9-5-14)21(29)19(26-18)15-6-10-17(30-2)11-7-15/h4-12H,3,13H2,1-2H3,(H,24,25,27)
InChIKeyHWQBPXJDWWNKOO-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.48
Rot. Bonds6

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

2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3235103) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one
PubChem CID3235103
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C22H20FN5O2/c1-3-24-22-25-12-18-20(27-22)28(13-14-4-8-16(23)9-5-14)21(29)19(26-18)15-6-10-17(30-2)11-7-15/h4-12H,3,13H2,1-2H3,(H,24,25,27)
InChIKeyHWQBPXJDWWNKOO-UHFFFAOYSA-N
XLogP3.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one (CID 3235103) is 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one is CCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is HWQBPXJDWWNKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-3-24-22-25-12-18-20(27-22)28(13-14-4-8-16(23)9-5-14)21(29)19(26-18)15-6-10-17(30-2)11-7-15/h4-12H,3,13H2,1-2H3,(H,24,25,27).
What are the key properties of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one?
2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 405.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3235103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).