1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol

C12H18N2O — CID 171604012

IUPAC1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol
SMILESCC(C)(C)c1ncc(C2(O)CCC2)cn1
InChIInChI=1S/C12H18N2O/c1-11(2,3)10-13-7-9(8-14-10)12(15)5-4-6-12/h7-8,15H,4-6H2,1-3H3
InChIKeyCKAURHXOWMBGAN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.15
Rot. Bonds1

About 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol

1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol (PubChem CID 171604012) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol
PubChem CID171604012
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol
SMILESCC(C)(C)c1ncc(C2(O)CCC2)cn1
InChIInChI=1S/C12H18N2O/c1-11(2,3)10-13-7-9(8-14-10)12(15)5-4-6-12/h7-8,15H,4-6H2,1-3H3
InChIKeyCKAURHXOWMBGAN-UHFFFAOYSA-N
XLogP2.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol?
The IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol (CID 171604012) is 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol is CC(C)(C)c1ncc(C2(O)CCC2)cn1.
What is the InChIKey of 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol?
The InChIKey is CKAURHXOWMBGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-11(2,3)10-13-7-9(8-14-10)12(15)5-4-6-12/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol?
1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrimidin-5-yl)cyclobutan-1-ol is sourced from PubChem (CID 171604012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).