4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine

C20H12N4OS — CID 23156445

IUPAC4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2nc3ncccc3cc2Oc2ncnc3sccc23)cc1
InChIInChI=1S/C20H12N4OS/c1-2-5-13(6-3-1)17-16(11-14-7-4-9-21-18(14)24-17)25-19-15-8-10-26-20(15)23-12-22-19/h1-12H
InChIKeySIYDAPRRXQHBPC-UHFFFAOYSA-N
MW356.41 g/mol
LogP5.09
Rot. Bonds3

About 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine

4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine (PubChem CID 23156445) has the molecular formula C20H12N4OS and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine
PubChem CID23156445
Molecular FormulaC20H12N4OS
Molecular Weight356.41 g/mol
Exact Mass356.07
IUPAC Name4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2nc3ncccc3cc2Oc2ncnc3sccc23)cc1
InChIInChI=1S/C20H12N4OS/c1-2-5-13(6-3-1)17-16(11-14-7-4-9-21-18(14)24-17)25-19-15-8-10-26-20(15)23-12-22-19/h1-12H
InChIKeySIYDAPRRXQHBPC-UHFFFAOYSA-N
XLogP5.09
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine (CID 23156445) is 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine is c1ccc(-c2nc3ncccc3cc2Oc2ncnc3sccc23)cc1.
What is the InChIKey of 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine?
The InChIKey is SIYDAPRRXQHBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4OS/c1-2-5-13(6-3-1)17-16(11-14-7-4-9-21-18(14)24-17)25-19-15-8-10-26-20(15)23-12-22-19/h1-12H.
What are the key properties of 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine?
4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine has a molecular weight of 356.41 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 23156445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).