2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one

C18H15N5OS — CID 3232935

IUPAC2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C18H15N5OS/c1-2-19-18-20-11-13-16(22-18)23(12-7-4-3-5-8-12)17(24)15(21-13)14-9-6-10-25-14/h3-11H,2H2,1H3,(H,19,20,22)
InChIKeyRCNBOXLQMNIIDI-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.34
Rot. Bonds4

About 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one

2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3232935) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one
PubChem CID3232935
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C18H15N5OS/c1-2-19-18-20-11-13-16(22-18)23(12-7-4-3-5-8-12)17(24)15(21-13)14-9-6-10-25-14/h3-11H,2H2,1H3,(H,19,20,22)
InChIKeyRCNBOXLQMNIIDI-UHFFFAOYSA-N
XLogP3.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one (CID 3232935) is 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one is CCNc1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is RCNBOXLQMNIIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-2-19-18-20-11-13-16(22-18)23(12-7-4-3-5-8-12)17(24)15(21-13)14-9-6-10-25-14/h3-11H,2H2,1H3,(H,19,20,22).
What are the key properties of 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one?
2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 349.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3232935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).