2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one

C23H22FN5O — CID 3235543

IUPAC2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C23H22FN5O/c1-28(2)23-25-14-20-21(27-23)29(15-17-8-11-18(24)12-9-17)22(30)19(26-20)13-10-16-6-4-3-5-7-16/h3-9,11-12,14H,10,13,15H2,1-2H3
InChIKeyAENXWVPAVOKAAI-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.23
Rot. Bonds6

About 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one

2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3235543) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
PubChem CID3235543
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C23H22FN5O/c1-28(2)23-25-14-20-21(27-23)29(15-17-8-11-18(24)12-9-17)22(30)19(26-20)13-10-16-6-4-3-5-7-16/h3-9,11-12,14H,10,13,15H2,1-2H3
InChIKeyAENXWVPAVOKAAI-UHFFFAOYSA-N
XLogP3.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one (CID 3235543) is 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one is CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is AENXWVPAVOKAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-28(2)23-25-14-20-21(27-23)29(15-17-8-11-18(24)12-9-17)22(30)19(26-20)13-10-16-6-4-3-5-7-16/h3-9,11-12,14H,10,13,15H2,1-2H3.
What are the key properties of 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one?
2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 403.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3235543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).