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

C22H21N5O2 — CID 3235412

IUPAC2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C22H21N5O2/c1-3-23-22-24-13-18-20(26-22)27(14-15-8-7-11-17(12-15)29-2)21(28)19(25-18)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,23,24,26)
InChIKeyAPEGOIROQZMVLL-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.34
Rot. Bonds6

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

2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one (PubChem CID 3235412) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one
PubChem CID3235412
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C22H21N5O2/c1-3-23-22-24-13-18-20(26-22)27(14-15-8-7-11-17(12-15)29-2)21(28)19(25-18)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,23,24,26)
InChIKeyAPEGOIROQZMVLL-UHFFFAOYSA-N
XLogP3.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.34
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-phenylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one (CID 3235412) is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one is CCNc1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccc(OC)c3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one?
The InChIKey is APEGOIROQZMVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-23-22-24-13-18-20(26-22)27(14-15-8-7-11-17(12-15)29-2)21(28)19(25-18)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,23,24,26).
What are the key properties of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one?
2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-phenylpteridin-7-one has a molecular weight of 387.44 g/mol, XLogP of 3.34, 6 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-phenylpteridin-7-one is sourced from PubChem (CID 3235412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).