2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

C15H16N6OS — CID 3233205

IUPAC2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1cnc2cnc(N3CCNCC3)nc2n1Cc1cccs1
InChIInChI=1S/C15H16N6OS/c22-13-9-17-12-8-18-15(20-5-3-16-4-6-20)19-14(12)21(13)10-11-2-1-7-23-11/h1-2,7-9,16H,3-6,10H2
InChIKeyGPWWQIIATJCZNE-UHFFFAOYSA-N
MW328.40 g/mol
LogP0.71
Rot. Bonds3

About 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3233205) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3233205
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1cnc2cnc(N3CCNCC3)nc2n1Cc1cccs1
InChIInChI=1S/C15H16N6OS/c22-13-9-17-12-8-18-15(20-5-3-16-4-6-20)19-14(12)21(13)10-11-2-1-7-23-11/h1-2,7-9,16H,3-6,10H2
InChIKeyGPWWQIIATJCZNE-UHFFFAOYSA-N
XLogP0.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3233205) is 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is O=c1cnc2cnc(N3CCNCC3)nc2n1Cc1cccs1.
What is the InChIKey of 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is GPWWQIIATJCZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c22-13-9-17-12-8-18-15(20-5-3-16-4-6-20)19-14(12)21(13)10-11-2-1-7-23-11/h1-2,7-9,16H,3-6,10H2.
What are the key properties of 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 328.40 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3233205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).