4-methyl-2-thiophen-2-ylpyrimidine

C9H8N2S — CID 21025894

IUPAC4-methyl-2-thiophen-2-ylpyrimidine
SMILESCc1ccnc(-c2cccs2)n1
InChIInChI=1S/C9H8N2S/c1-7-4-5-10-9(11-7)8-3-2-6-12-8/h2-6H,1H3
InChIKeyHKNDCBXPRABGIJ-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.51
Rot. Bonds1

About 4-methyl-2-thiophen-2-ylpyrimidine

4-methyl-2-thiophen-2-ylpyrimidine (PubChem CID 21025894) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-ylpyrimidine
PubChem CID21025894
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name4-methyl-2-thiophen-2-ylpyrimidine
SMILESCc1ccnc(-c2cccs2)n1
InChIInChI=1S/C9H8N2S/c1-7-4-5-10-9(11-7)8-3-2-6-12-8/h2-6H,1H3
InChIKeyHKNDCBXPRABGIJ-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 4-methyl-2-thiophen-2-ylpyrimidine?
The IUPAC name of 4-methyl-2-thiophen-2-ylpyrimidine (CID 21025894) is 4-methyl-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-methyl-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-methyl-2-thiophen-2-ylpyrimidine is Cc1ccnc(-c2cccs2)n1.
What is the InChIKey of 4-methyl-2-thiophen-2-ylpyrimidine?
The InChIKey is HKNDCBXPRABGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-7-4-5-10-9(11-7)8-3-2-6-12-8/h2-6H,1H3.
What are the key properties of 4-methyl-2-thiophen-2-ylpyrimidine?
4-methyl-2-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 4-methyl-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 21025894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).