2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one

C18H22N6O — CID 70165143

IUPAC2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one
SMILESCCN(CC)CCNc1ncc2nc(-c3ccccc3)c(=O)[nH]c2n1
InChIInChI=1S/C18H22N6O/c1-3-24(4-2)11-10-19-18-20-12-14-16(23-18)22-17(25)15(21-14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,19,20,22,23,25)
InChIKeyPCNVYNKTGWJZDB-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.13
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one

2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one (PubChem CID 70165143) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one
PubChem CID70165143
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one
SMILESCCN(CC)CCNc1ncc2nc(-c3ccccc3)c(=O)[nH]c2n1
InChIInChI=1S/C18H22N6O/c1-3-24(4-2)11-10-19-18-20-12-14-16(23-18)22-17(25)15(21-14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,19,20,22,23,25)
InChIKeyPCNVYNKTGWJZDB-UHFFFAOYSA-N
XLogP2.13
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one (CID 70165143) is 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one is CCN(CC)CCNc1ncc2nc(-c3ccccc3)c(=O)[nH]c2n1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one?
The InChIKey is PCNVYNKTGWJZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-3-24(4-2)11-10-19-18-20-12-14-16(23-18)22-17(25)15(21-14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,19,20,22,23,25).
What are the key properties of 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one?
2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one has a molecular weight of 338.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one is sourced from PubChem (CID 70165143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).