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

C17H18FN5O2 — CID 3233944

IUPAC2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCOC)c2n1
InChIInChI=1S/C17H18FN5O2/c1-3-19-17-20-10-13-15(22-17)23(8-9-25-2)16(24)14(21-13)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,19,20,22)
InChIKeyXCLYTSNODYFHNG-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.07
Rot. Bonds6

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

2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one (PubChem CID 3233944) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one
PubChem CID3233944
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCOC)c2n1
InChIInChI=1S/C17H18FN5O2/c1-3-19-17-20-10-13-15(22-17)23(8-9-25-2)16(24)14(21-13)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,19,20,22)
InChIKeyXCLYTSNODYFHNG-UHFFFAOYSA-N
XLogP2.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.07
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-(2-methoxyethyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one (CID 3233944) is 2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one is CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCOC)c2n1.
What is the InChIKey of 2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one?
The InChIKey is XCLYTSNODYFHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-3-19-17-20-10-13-15(22-17)23(8-9-25-2)16(24)14(21-13)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,19,20,22).
What are the key properties of 2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one?
2-(ethylamino)-6-(4-fluorophenyl)-8-(2-methoxyethyl)pteridin-7-one has a molecular weight of 343.36 g/mol, XLogP of 2.07, 6 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-(2-methoxyethyl)pteridin-7-one is sourced from PubChem (CID 3233944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).