2-(thiophen-3-yloxymethyl)pyrimidine

C9H8N2OS — CID 18172154

IUPAC2-(thiophen-3-yloxymethyl)pyrimidine
SMILESc1cnc(COc2ccsc2)nc1
InChIInChI=1S/C9H8N2OS/c1-3-10-9(11-4-1)6-12-8-2-5-13-7-8/h1-5,7H,6H2
InChIKeyMNYFTKIPTNAWNG-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.12
Rot. Bonds3

About 2-(thiophen-3-yloxymethyl)pyrimidine

2-(thiophen-3-yloxymethyl)pyrimidine (PubChem CID 18172154) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(thiophen-3-yloxymethyl)pyrimidine.

Molecular Properties

Compound Name2-(thiophen-3-yloxymethyl)pyrimidine
PubChem CID18172154
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-(thiophen-3-yloxymethyl)pyrimidine
SMILESc1cnc(COc2ccsc2)nc1
InChIInChI=1S/C9H8N2OS/c1-3-10-9(11-4-1)6-12-8-2-5-13-7-8/h1-5,7H,6H2
InChIKeyMNYFTKIPTNAWNG-UHFFFAOYSA-N
XLogP2.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-yloxymethyl)pyrimidine?
The IUPAC name of 2-(thiophen-3-yloxymethyl)pyrimidine (CID 18172154) is 2-(thiophen-3-yloxymethyl)pyrimidine.
What is the SMILES notation for 2-(thiophen-3-yloxymethyl)pyrimidine?
The canonical SMILES for 2-(thiophen-3-yloxymethyl)pyrimidine is c1cnc(COc2ccsc2)nc1.
What is the InChIKey of 2-(thiophen-3-yloxymethyl)pyrimidine?
The InChIKey is MNYFTKIPTNAWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-3-10-9(11-4-1)6-12-8-2-5-13-7-8/h1-5,7H,6H2.
What are the key properties of 2-(thiophen-3-yloxymethyl)pyrimidine?
2-(thiophen-3-yloxymethyl)pyrimidine has a molecular weight of 192.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-yloxymethyl)pyrimidine is sourced from PubChem (CID 18172154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).