5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine

C13H16N2OS — CID 163257833

IUPAC5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine
SMILESCOc1ncc(-c2ccc(C(C)(C)C)s2)cn1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)11-6-5-10(17-11)9-7-14-12(16-4)15-8-9/h5-8H,1-4H3
InChIKeyCGWBZNKFODMCHP-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.51
Rot. Bonds2

About 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine

5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine (PubChem CID 163257833) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine.

Molecular Properties

Compound Name5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine
PubChem CID163257833
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine
SMILESCOc1ncc(-c2ccc(C(C)(C)C)s2)cn1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)11-6-5-10(17-11)9-7-14-12(16-4)15-8-9/h5-8H,1-4H3
InChIKeyCGWBZNKFODMCHP-UHFFFAOYSA-N
XLogP3.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine?
The IUPAC name of 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine (CID 163257833) is 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine.
What is the SMILES notation for 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine?
The canonical SMILES for 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine is COc1ncc(-c2ccc(C(C)(C)C)s2)cn1.
What is the InChIKey of 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine?
The InChIKey is CGWBZNKFODMCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-13(2,3)11-6-5-10(17-11)9-7-14-12(16-4)15-8-9/h5-8H,1-4H3.
What are the key properties of 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine?
5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine has a molecular weight of 248.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butylthiophen-2-yl)-2-methoxypyrimidine is sourced from PubChem (CID 163257833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).