(2-tert-butylpyrimidin-5-yl)methanol

C9H14N2O — CID 14434917

IUPAC(2-tert-butylpyrimidin-5-yl)methanol
SMILESCC(C)(C)c1ncc(CO)cn1
InChIInChI=1S/C9H14N2O/c1-9(2,3)8-10-4-7(6-12)5-11-8/h4-5,12H,6H2,1-3H3
InChIKeyHJHBRWIYJRVZCK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.27
Rot. Bonds1

About (2-tert-butylpyrimidin-5-yl)methanol

(2-tert-butylpyrimidin-5-yl)methanol (PubChem CID 14434917) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2-tert-butylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-tert-butylpyrimidin-5-yl)methanol
PubChem CID14434917
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2-tert-butylpyrimidin-5-yl)methanol
SMILESCC(C)(C)c1ncc(CO)cn1
InChIInChI=1S/C9H14N2O/c1-9(2,3)8-10-4-7(6-12)5-11-8/h4-5,12H,6H2,1-3H3
InChIKeyHJHBRWIYJRVZCK-UHFFFAOYSA-N
XLogP1.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylpyrimidin-5-yl)methanol?
The IUPAC name of (2-tert-butylpyrimidin-5-yl)methanol (CID 14434917) is (2-tert-butylpyrimidin-5-yl)methanol.
What is the SMILES notation for (2-tert-butylpyrimidin-5-yl)methanol?
The canonical SMILES for (2-tert-butylpyrimidin-5-yl)methanol is CC(C)(C)c1ncc(CO)cn1.
What is the InChIKey of (2-tert-butylpyrimidin-5-yl)methanol?
The InChIKey is HJHBRWIYJRVZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,3)8-10-4-7(6-12)5-11-8/h4-5,12H,6H2,1-3H3.
What are the key properties of (2-tert-butylpyrimidin-5-yl)methanol?
(2-tert-butylpyrimidin-5-yl)methanol has a molecular weight of 166.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpyrimidin-5-yl)methanol is sourced from PubChem (CID 14434917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).