4-phenoxy-6-phenylthieno[2,3-d]pyrimidine

C18H12N2OS — CID 2408628

IUPAC4-phenoxy-6-phenylthieno[2,3-d]pyrimidine
SMILESc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C18H12N2OS/c1-3-7-13(8-4-1)16-11-15-17(19-12-20-18(15)22-16)21-14-9-5-2-6-10-14/h1-12H
InChIKeyXQIDPTLRJXSLIF-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.15
Rot. Bonds3

About 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine

4-phenoxy-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 2408628) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-phenoxy-6-phenylthieno[2,3-d]pyrimidine
PubChem CID2408628
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name4-phenoxy-6-phenylthieno[2,3-d]pyrimidine
SMILESc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C18H12N2OS/c1-3-7-13(8-4-1)16-11-15-17(19-12-20-18(15)22-16)21-14-9-5-2-6-10-14/h1-12H
InChIKeyXQIDPTLRJXSLIF-UHFFFAOYSA-N
XLogP5.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine (CID 2408628) is 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine is c1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is XQIDPTLRJXSLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c1-3-7-13(8-4-1)16-11-15-17(19-12-20-18(15)22-16)21-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine?
4-phenoxy-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 304.37 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2408628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).