2-(3-tert-butyl-2-methoxyphenyl)pyrimidine

C15H18N2O — CID 118462786

IUPAC2-(3-tert-butyl-2-methoxyphenyl)pyrimidine
SMILESCOc1c(-c2ncccn2)cccc1C(C)(C)C
InChIInChI=1S/C15H18N2O/c1-15(2,3)12-8-5-7-11(13(12)18-4)14-16-9-6-10-17-14/h5-10H,1-4H3
InChIKeyYBXMGWFUMZKGOB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.45
Rot. Bonds2

About 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine

2-(3-tert-butyl-2-methoxyphenyl)pyrimidine (PubChem CID 118462786) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methoxyphenyl)pyrimidine
PubChem CID118462786
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(3-tert-butyl-2-methoxyphenyl)pyrimidine
SMILESCOc1c(-c2ncccn2)cccc1C(C)(C)C
InChIInChI=1S/C15H18N2O/c1-15(2,3)12-8-5-7-11(13(12)18-4)14-16-9-6-10-17-14/h5-10H,1-4H3
InChIKeyYBXMGWFUMZKGOB-UHFFFAOYSA-N
XLogP3.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine?
The IUPAC name of 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine (CID 118462786) is 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine is COc1c(-c2ncccn2)cccc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine?
The InChIKey is YBXMGWFUMZKGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)12-8-5-7-11(13(12)18-4)14-16-9-6-10-17-14/h5-10H,1-4H3.
What are the key properties of 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine?
2-(3-tert-butyl-2-methoxyphenyl)pyrimidine has a molecular weight of 242.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methoxyphenyl)pyrimidine is sourced from PubChem (CID 118462786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).