2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one

C19H23N5O2 — CID 3233598

IUPAC2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(CCc3ccccc3)c(=O)n(CCOC)c2n1
InChIInChI=1S/C19H23N5O2/c1-3-20-19-21-13-16-17(23-19)24(11-12-26-2)18(25)15(22-16)10-9-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,21,23)
InChIKeyHERUFJJLAVAWCZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.05
Rot. Bonds8

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

2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3233598) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
PubChem CID3233598
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(CCc3ccccc3)c(=O)n(CCOC)c2n1
InChIInChI=1S/C19H23N5O2/c1-3-20-19-21-13-16-17(23-19)24(11-12-26-2)18(25)15(22-16)10-9-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,21,23)
InChIKeyHERUFJJLAVAWCZ-UHFFFAOYSA-N
XLogP2.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one (CID 3233598) is 2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one is CCNc1ncc2nc(CCc3ccccc3)c(=O)n(CCOC)c2n1.
What is the InChIKey of 2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is HERUFJJLAVAWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-20-19-21-13-16-17(23-19)24(11-12-26-2)18(25)15(22-16)10-9-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one?
2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 353.43 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3233598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).