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

C23H23N5O2 — CID 3233615

IUPAC2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C23H23N5O2/c1-3-24-23-25-15-20-21(27-23)28(17-10-12-18(30-2)13-11-17)22(29)19(26-20)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,24,25,27)
InChIKeyBVJPLVLWUQNRAA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.40
Rot. Bonds7

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

2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3233615) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one
PubChem CID3233615
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C23H23N5O2/c1-3-24-23-25-15-20-21(27-23)28(17-10-12-18(30-2)13-11-17)22(29)19(26-20)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,24,25,27)
InChIKeyBVJPLVLWUQNRAA-UHFFFAOYSA-N
XLogP3.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.40
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-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one (CID 3233615) is 2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one is CCNc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccc(OC)cc3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is BVJPLVLWUQNRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-24-23-25-15-20-21(27-23)28(17-10-12-18(30-2)13-11-17)22(29)19(26-20)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,24,25,27).
What are the key properties of 2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 401.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3233615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).