2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one

C17H12N4O2S — CID 3233436

IUPAC2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one
SMILESCOc1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C17H12N4O2S/c1-23-17-18-10-12-15(20-17)21(11-6-3-2-4-7-11)16(22)14(19-12)13-8-5-9-24-13/h2-10H,1H3
InChIKeyNLKAJMALFBBQPI-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.91
Rot. Bonds3

About 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one

2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233436) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one
PubChem CID3233436
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one
SMILESCOc1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C17H12N4O2S/c1-23-17-18-10-12-15(20-17)21(11-6-3-2-4-7-11)16(22)14(19-12)13-8-5-9-24-13/h2-10H,1H3
InChIKeyNLKAJMALFBBQPI-UHFFFAOYSA-N
XLogP2.91
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one (CID 3233436) is 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one is COc1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is NLKAJMALFBBQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-23-17-18-10-12-15(20-17)21(11-6-3-2-4-7-11)16(22)14(19-12)13-8-5-9-24-13/h2-10H,1H3.
What are the key properties of 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one?
2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 336.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).