2-methoxy-4-thiophen-2-ylpyrimidine

C9H8N2OS — CID 67560375

IUPAC2-methoxy-4-thiophen-2-ylpyrimidine
SMILESCOc1nccc(-c2cccs2)n1
InChIInChI=1S/C9H8N2OS/c1-12-9-10-5-4-7(11-9)8-3-2-6-13-8/h2-6H,1H3
InChIKeyPLGNXLPYUUDINK-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.21
Rot. Bonds2

About 2-methoxy-4-thiophen-2-ylpyrimidine

2-methoxy-4-thiophen-2-ylpyrimidine (PubChem CID 67560375) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-methoxy-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-methoxy-4-thiophen-2-ylpyrimidine
PubChem CID67560375
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-methoxy-4-thiophen-2-ylpyrimidine
SMILESCOc1nccc(-c2cccs2)n1
InChIInChI=1S/C9H8N2OS/c1-12-9-10-5-4-7(11-9)8-3-2-6-13-8/h2-6H,1H3
InChIKeyPLGNXLPYUUDINK-UHFFFAOYSA-N
XLogP2.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-thiophen-2-ylpyrimidine?
The IUPAC name of 2-methoxy-4-thiophen-2-ylpyrimidine (CID 67560375) is 2-methoxy-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-methoxy-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-methoxy-4-thiophen-2-ylpyrimidine is COc1nccc(-c2cccs2)n1.
What is the InChIKey of 2-methoxy-4-thiophen-2-ylpyrimidine?
The InChIKey is PLGNXLPYUUDINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-12-9-10-5-4-7(11-9)8-3-2-6-13-8/h2-6H,1H3.
What are the key properties of 2-methoxy-4-thiophen-2-ylpyrimidine?
2-methoxy-4-thiophen-2-ylpyrimidine has a molecular weight of 192.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 67560375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).