2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one

C23H17N5OS — CID 3234819

IUPAC2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cnc(Nc3ccccc3)nc2n1Cc1cccs1
InChIInChI=1S/C23H17N5OS/c29-22-20(16-8-3-1-4-9-16)26-19-14-24-23(25-17-10-5-2-6-11-17)27-21(19)28(22)15-18-12-7-13-30-18/h1-14H,15H2,(H,24,25,27)
InChIKeyZEDWQVKODIPHPT-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.71
Rot. Bonds5

About 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one

2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3234819) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3234819
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC Name2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cnc(Nc3ccccc3)nc2n1Cc1cccs1
InChIInChI=1S/C23H17N5OS/c29-22-20(16-8-3-1-4-9-16)26-19-14-24-23(25-17-10-5-2-6-11-17)27-21(19)28(22)15-18-12-7-13-30-18/h1-14H,15H2,(H,24,25,27)
InChIKeyZEDWQVKODIPHPT-UHFFFAOYSA-N
XLogP4.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3234819) is 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one is O=c1c(-c2ccccc2)nc2cnc(Nc3ccccc3)nc2n1Cc1cccs1.
What is the InChIKey of 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is ZEDWQVKODIPHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c29-22-20(16-8-3-1-4-9-16)26-19-14-24-23(25-17-10-5-2-6-11-17)27-21(19)28(22)15-18-12-7-13-30-18/h1-14H,15H2,(H,24,25,27).
What are the key properties of 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 411.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3234819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).