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

C21H18FN5O2 — CID 3234165

IUPAC2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C21H18FN5O2/c1-3-23-21-24-12-17-19(26-21)27(15-8-10-16(29-2)11-9-15)20(28)18(25-17)13-4-6-14(22)7-5-13/h4-12H,3H2,1-2H3,(H,23,24,26)
InChIKeyAFHWZVROVCEBMQ-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.42
Rot. Bonds5

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

2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3234165) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
PubChem CID3234165
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C21H18FN5O2/c1-3-23-21-24-12-17-19(26-21)27(15-8-10-16(29-2)11-9-15)20(28)18(25-17)13-4-6-14(22)7-5-13/h4-12H,3H2,1-2H3,(H,23,24,26)
InChIKeyAFHWZVROVCEBMQ-UHFFFAOYSA-N
XLogP3.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one (CID 3234165) is 2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one is CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1.
What is the InChIKey of 2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is AFHWZVROVCEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-3-23-21-24-12-17-19(26-21)27(15-8-10-16(29-2)11-9-15)20(28)18(25-17)13-4-6-14(22)7-5-13/h4-12H,3H2,1-2H3,(H,23,24,26).
What are the key properties of 2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one?
2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 391.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(4-fluorophenyl)-8-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3234165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).