4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine

C19H14N2OS — CID 2768262

IUPAC4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine
SMILESCc1ccc(Oc2nc(-c3ccccc3)nc3ccsc23)cc1
InChIInChI=1S/C19H14N2OS/c1-13-7-9-15(10-8-13)22-19-17-16(11-12-23-17)20-18(21-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBLTGDXMNAWRERE-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.46
Rot. Bonds3

About 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine

4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine (PubChem CID 2768262) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine
PubChem CID2768262
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine
SMILESCc1ccc(Oc2nc(-c3ccccc3)nc3ccsc23)cc1
InChIInChI=1S/C19H14N2OS/c1-13-7-9-15(10-8-13)22-19-17-16(11-12-23-17)20-18(21-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBLTGDXMNAWRERE-UHFFFAOYSA-N
XLogP5.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine (CID 2768262) is 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine is Cc1ccc(Oc2nc(-c3ccccc3)nc3ccsc23)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine?
The InChIKey is BLTGDXMNAWRERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-13-7-9-15(10-8-13)22-19-17-16(11-12-23-17)20-18(21-19)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine?
4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine has a molecular weight of 318.40 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-2-phenylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 2768262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).