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

C22H21N5O3 — CID 3234395

IUPAC2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C22H21N5O3/c1-4-23-22-24-13-18-20(26-22)27(15-7-11-17(30-3)12-8-15)21(28)19(25-18)14-5-9-16(29-2)10-6-14/h5-13H,4H2,1-3H3,(H,23,24,26)
InChIKeyPUKZVKFQQZQVDJ-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.29
Rot. Bonds6

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

2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one (PubChem CID 3234395) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one
PubChem CID3234395
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C22H21N5O3/c1-4-23-22-24-13-18-20(26-22)27(15-7-11-17(30-3)12-8-15)21(28)19(25-18)14-5-9-16(29-2)10-6-14/h5-13H,4H2,1-3H3,(H,23,24,26)
InChIKeyPUKZVKFQQZQVDJ-UHFFFAOYSA-N
XLogP3.29
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one (CID 3234395) is 2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one is CCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1.
What is the InChIKey of 2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one?
The InChIKey is PUKZVKFQQZQVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-4-23-22-24-13-18-20(26-22)27(15-7-11-17(30-3)12-8-15)21(28)19(25-18)14-5-9-16(29-2)10-6-14/h5-13H,4H2,1-3H3,(H,23,24,26).
What are the key properties of 2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one?
2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one has a molecular weight of 403.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6,8-bis(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3234395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).