8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one

C18H20N6O — CID 3232739

IUPAC8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one
SMILESO=c1cnc2cnc(N3CCNCC3)nc2n1CCc1ccccc1
InChIInChI=1S/C18H20N6O/c25-16-13-20-15-12-21-18(23-10-7-19-8-11-23)22-17(15)24(16)9-6-14-4-2-1-3-5-14/h1-5,12-13,19H,6-11H2
InChIKeyJWTKKIJQUFEDJA-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.84
Rot. Bonds4

About 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one

8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one (PubChem CID 3232739) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one
PubChem CID3232739
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one
SMILESO=c1cnc2cnc(N3CCNCC3)nc2n1CCc1ccccc1
InChIInChI=1S/C18H20N6O/c25-16-13-20-15-12-21-18(23-10-7-19-8-11-23)22-17(15)24(16)9-6-14-4-2-1-3-5-14/h1-5,12-13,19H,6-11H2
InChIKeyJWTKKIJQUFEDJA-UHFFFAOYSA-N
XLogP0.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one (CID 3232739) is 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one is O=c1cnc2cnc(N3CCNCC3)nc2n1CCc1ccccc1.
What is the InChIKey of 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one?
The InChIKey is JWTKKIJQUFEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-16-13-20-15-12-21-18(23-10-7-19-8-11-23)22-17(15)24(16)9-6-14-4-2-1-3-5-14/h1-5,12-13,19H,6-11H2.
What are the key properties of 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one?
8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one has a molecular weight of 336.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3232739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).