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

C13H10N2OS — CID 1039883

IUPAC4-methoxy-6-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C13H10N2OS/c1-16-12-10-7-11(9-5-3-2-4-6-9)17-13(10)15-8-14-12/h2-8H,1H3
InChIKeyBJYRBACIIFXQTL-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.37
Rot. Bonds2

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

4-methoxy-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 1039883) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-methoxy-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-phenylthieno[2,3-d]pyrimidine
PubChem CID1039883
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name4-methoxy-6-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C13H10N2OS/c1-16-12-10-7-11(9-5-3-2-4-6-9)17-13(10)15-8-14-12/h2-8H,1H3
InChIKeyBJYRBACIIFXQTL-UHFFFAOYSA-N
XLogP3.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-methoxy-6-phenylthieno[2,3-d]pyrimidine (CID 1039883) is 4-methoxy-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-6-phenylthieno[2,3-d]pyrimidine is COc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 4-methoxy-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is BJYRBACIIFXQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-16-12-10-7-11(9-5-3-2-4-6-9)17-13(10)15-8-14-12/h2-8H,1H3.
What are the key properties of 4-methoxy-6-phenylthieno[2,3-d]pyrimidine?
4-methoxy-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 242.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 1039883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).