2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one

C24H25N5O2 — CID 3233222

IUPAC2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(CCc3ccccc3)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C24H25N5O2/c1-3-25-24-26-15-21-22(28-24)29(16-18-10-7-11-19(14-18)31-2)23(30)20(27-21)13-12-17-8-5-4-6-9-17/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,25,26,28)
InChIKeyRAHJESCWZUSNLK-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.46
Rot. Bonds8

About 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one

2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3233222) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
PubChem CID3233222
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(CCc3ccccc3)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C24H25N5O2/c1-3-25-24-26-15-21-22(28-24)29(16-18-10-7-11-19(14-18)31-2)23(30)20(27-21)13-12-17-8-5-4-6-9-17/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,25,26,28)
InChIKeyRAHJESCWZUSNLK-UHFFFAOYSA-N
XLogP3.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one (CID 3233222) is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one is CCNc1ncc2nc(CCc3ccccc3)c(=O)n(Cc3cccc(OC)c3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is RAHJESCWZUSNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-25-24-26-15-21-22(28-24)29(16-18-10-7-11-19(14-18)31-2)23(30)20(27-21)13-12-17-8-5-4-6-9-17/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,25,26,28).
What are the key properties of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 415.50 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3233222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).