6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide

C23H16N4OS — CID 86302541

IUPAC6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide
SMILESNc1ncnc2scc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c12
InChIInChI=1S/C23H16N4OS/c24-21-20-19(12-29-23(20)26-13-25-21)15-9-10-17-14(11-15)5-4-8-18(17)22(28)27-16-6-2-1-3-7-16/h1-13H,(H,27,28)(H2,24,25,26)
InChIKeyBYSPSKYBWHPEJW-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.35
Rot. Bonds3

About 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide

6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide (PubChem CID 86302541) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide
PubChem CID86302541
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC Name6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide
SMILESNc1ncnc2scc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c12
InChIInChI=1S/C23H16N4OS/c24-21-20-19(12-29-23(20)26-13-25-21)15-9-10-17-14(11-15)5-4-8-18(17)22(28)27-16-6-2-1-3-7-16/h1-13H,(H,27,28)(H2,24,25,26)
InChIKeyBYSPSKYBWHPEJW-UHFFFAOYSA-N
XLogP5.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide?
The IUPAC name of 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide (CID 86302541) is 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide?
The canonical SMILES for 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide is Nc1ncnc2scc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c12.
What is the InChIKey of 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide?
The InChIKey is BYSPSKYBWHPEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS/c24-21-20-19(12-29-23(20)26-13-25-21)15-9-10-17-14(11-15)5-4-8-18(17)22(28)27-16-6-2-1-3-7-16/h1-13H,(H,27,28)(H2,24,25,26).
What are the key properties of 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide?
6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide is sourced from PubChem (CID 86302541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).