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

C21H20N6OS — CID 3233168

IUPAC6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1
InChIInChI=1S/C21H20N6OS/c28-20-18(15-5-2-1-3-6-15)24-17-13-23-21(26-10-8-22-9-11-26)25-19(17)27(20)14-16-7-4-12-29-16/h1-7,12-13,22H,8-11,14H2
InChIKeyMOGFOFBWUBODIG-UHFFFAOYSA-N
MW404.50 g/mol
LogP2.37
Rot. Bonds4

About 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3233168) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3233168
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1
InChIInChI=1S/C21H20N6OS/c28-20-18(15-5-2-1-3-6-15)24-17-13-23-21(26-10-8-22-9-11-26)25-19(17)27(20)14-16-7-4-12-29-16/h1-7,12-13,22H,8-11,14H2
InChIKeyMOGFOFBWUBODIG-UHFFFAOYSA-N
XLogP2.37
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3233168) is 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is O=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1.
What is the InChIKey of 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is MOGFOFBWUBODIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c28-20-18(15-5-2-1-3-6-15)24-17-13-23-21(26-10-8-22-9-11-26)25-19(17)27(20)14-16-7-4-12-29-16/h1-7,12-13,22H,8-11,14H2.
What are the key properties of 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 404.50 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3233168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).