2-methyl-5-thiophen-2-ylpyrimidine

C9H8N2S — CID 54054310

IUPAC2-methyl-5-thiophen-2-ylpyrimidine
SMILESCc1ncc(-c2cccs2)cn1
InChIInChI=1S/C9H8N2S/c1-7-10-5-8(6-11-7)9-3-2-4-12-9/h2-6H,1H3
InChIKeyLVDVQNPXCZAGTH-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.51
Rot. Bonds1

About 2-methyl-5-thiophen-2-ylpyrimidine

2-methyl-5-thiophen-2-ylpyrimidine (PubChem CID 54054310) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-ylpyrimidine
PubChem CID54054310
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name2-methyl-5-thiophen-2-ylpyrimidine
SMILESCc1ncc(-c2cccs2)cn1
InChIInChI=1S/C9H8N2S/c1-7-10-5-8(6-11-7)9-3-2-4-12-9/h2-6H,1H3
InChIKeyLVDVQNPXCZAGTH-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-ylpyrimidine?
The IUPAC name of 2-methyl-5-thiophen-2-ylpyrimidine (CID 54054310) is 2-methyl-5-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-methyl-5-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-methyl-5-thiophen-2-ylpyrimidine is Cc1ncc(-c2cccs2)cn1.
What is the InChIKey of 2-methyl-5-thiophen-2-ylpyrimidine?
The InChIKey is LVDVQNPXCZAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-7-10-5-8(6-11-7)9-3-2-4-12-9/h2-6H,1H3.
What are the key properties of 2-methyl-5-thiophen-2-ylpyrimidine?
2-methyl-5-thiophen-2-ylpyrimidine has a molecular weight of 176.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-ylpyrimidine is sourced from PubChem (CID 54054310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).