6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one

C18H21N7O — CID 70163545

IUPAC6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one
SMILESO=c1[nH]c2nc(NCCN3CCNCC3)ncc2nc1-c1ccccc1
InChIInChI=1S/C18H21N7O/c26-17-15(13-4-2-1-3-5-13)22-14-12-21-18(24-16(14)23-17)20-8-11-25-9-6-19-7-10-25/h1-5,12,19H,6-11H2,(H2,20,21,23,24,26)
InChIKeyKHWGKHOLGGRTMI-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.70
Rot. Bonds5

About 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one

6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one (PubChem CID 70163545) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one.

Molecular Properties

Compound Name6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one
PubChem CID70163545
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one
SMILESO=c1[nH]c2nc(NCCN3CCNCC3)ncc2nc1-c1ccccc1
InChIInChI=1S/C18H21N7O/c26-17-15(13-4-2-1-3-5-13)22-14-12-21-18(24-16(14)23-17)20-8-11-25-9-6-19-7-10-25/h1-5,12,19H,6-11H2,(H2,20,21,23,24,26)
InChIKeyKHWGKHOLGGRTMI-UHFFFAOYSA-N
XLogP0.70
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one?
The IUPAC name of 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one (CID 70163545) is 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one.
What is the SMILES notation for 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one?
The canonical SMILES for 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one is O=c1[nH]c2nc(NCCN3CCNCC3)ncc2nc1-c1ccccc1.
What is the InChIKey of 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one?
The InChIKey is KHWGKHOLGGRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c26-17-15(13-4-2-1-3-5-13)22-14-12-21-18(24-16(14)23-17)20-8-11-25-9-6-19-7-10-25/h1-5,12,19H,6-11H2,(H2,20,21,23,24,26).
What are the key properties of 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one?
6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one has a molecular weight of 351.41 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(2-piperazin-1-ylethylamino)-8H-pteridin-7-one is sourced from PubChem (CID 70163545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).