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

C23H23N5O2 — CID 3233754

IUPAC2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N(C)C)nc32)cc1
InChIInChI=1S/C23H23N5O2/c1-27(2)23-24-15-20-21(26-23)28(17-10-12-18(30-3)13-11-17)22(29)19(25-20)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,9,14H2,1-3H3
InChIKeyODGWZKOQOZSKFX-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.04
Rot. Bonds6

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

2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3233754) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one
PubChem CID3233754
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N(C)C)nc32)cc1
InChIInChI=1S/C23H23N5O2/c1-27(2)23-24-15-20-21(26-23)28(17-10-12-18(30-3)13-11-17)22(29)19(25-20)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,9,14H2,1-3H3
InChIKeyODGWZKOQOZSKFX-UHFFFAOYSA-N
XLogP3.04
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one (CID 3233754) is 2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one is COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N(C)C)nc32)cc1.
What is the InChIKey of 2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is ODGWZKOQOZSKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-27(2)23-24-15-20-21(26-23)28(17-10-12-18(30-3)13-11-17)22(29)19(25-20)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,9,14H2,1-3H3.
What are the key properties of 2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one?
2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 401.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(4-methoxyphenyl)-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3233754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).