2-(dimethylamino)-6,8-diphenylpteridin-7-one

C20H17N5O — CID 3232997

IUPAC2-(dimethylamino)-6,8-diphenylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccccc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H17N5O/c1-24(2)20-21-13-16-18(23-20)25(15-11-7-4-8-12-15)19(26)17(22-16)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyHVBASFFRDILBOY-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.91
Rot. Bonds3

About 2-(dimethylamino)-6,8-diphenylpteridin-7-one

2-(dimethylamino)-6,8-diphenylpteridin-7-one (PubChem CID 3232997) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(dimethylamino)-6,8-diphenylpteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-6,8-diphenylpteridin-7-one
PubChem CID3232997
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-(dimethylamino)-6,8-diphenylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccccc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H17N5O/c1-24(2)20-21-13-16-18(23-20)25(15-11-7-4-8-12-15)19(26)17(22-16)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyHVBASFFRDILBOY-UHFFFAOYSA-N
XLogP2.91
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6,8-diphenylpteridin-7-one?
The IUPAC name of 2-(dimethylamino)-6,8-diphenylpteridin-7-one (CID 3232997) is 2-(dimethylamino)-6,8-diphenylpteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-6,8-diphenylpteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-6,8-diphenylpteridin-7-one is CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-(dimethylamino)-6,8-diphenylpteridin-7-one?
The InChIKey is HVBASFFRDILBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-24(2)20-21-13-16-18(23-20)25(15-11-7-4-8-12-15)19(26)17(22-16)14-9-5-3-6-10-14/h3-13H,1-2H3.
What are the key properties of 2-(dimethylamino)-6,8-diphenylpteridin-7-one?
2-(dimethylamino)-6,8-diphenylpteridin-7-one has a molecular weight of 343.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6,8-diphenylpteridin-7-one is sourced from PubChem (CID 3232997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).