2-(4-propan-2-ylpyrimidin-2-yl)phenol

C13H14N2O — CID 136866665

IUPAC2-(4-propan-2-ylpyrimidin-2-yl)phenol
SMILESCC(C)c1ccnc(-c2ccccc2O)n1
InChIInChI=1S/C13H14N2O/c1-9(2)11-7-8-14-13(15-11)10-5-3-4-6-12(10)16/h3-9,16H,1-2H3
InChIKeyOJSBHJFSTFJBDD-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.97
Rot. Bonds2

About 2-(4-propan-2-ylpyrimidin-2-yl)phenol

2-(4-propan-2-ylpyrimidin-2-yl)phenol (PubChem CID 136866665) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(4-propan-2-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-propan-2-ylpyrimidin-2-yl)phenol
PubChem CID136866665
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(4-propan-2-ylpyrimidin-2-yl)phenol
SMILESCC(C)c1ccnc(-c2ccccc2O)n1
InChIInChI=1S/C13H14N2O/c1-9(2)11-7-8-14-13(15-11)10-5-3-4-6-12(10)16/h3-9,16H,1-2H3
InChIKeyOJSBHJFSTFJBDD-UHFFFAOYSA-N
XLogP2.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrimidin-2-ylphenol;zinc
CID 161346901
2-(4-bromophenyl)-4-propan-2-ylpyrimidine
CID 82489180
2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 135874559
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
N,N-dimethyl-4-propan-2-ylpyrimidin-2-amine
CID 10820941
4-(1-methoxyethyl)-2-phenylpyrimidine
CID 141154536
6-propan-2-yl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 62191558
2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 163676700
ethane;2-ethyl-4-propan-2-ylpyrimidine;sulfanol
CID 165133315
2-propan-2-ylquinolin-8-ol
CID 4218732
ethane;2-ethyl-4-propan-2-ylpyrimidine
CID 154681512
N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine
CID 63318725

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpyrimidin-2-yl)phenol?
The IUPAC name of 2-(4-propan-2-ylpyrimidin-2-yl)phenol (CID 136866665) is 2-(4-propan-2-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(4-propan-2-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 2-(4-propan-2-ylpyrimidin-2-yl)phenol is CC(C)c1ccnc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-propan-2-ylpyrimidin-2-yl)phenol?
The InChIKey is OJSBHJFSTFJBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(2)11-7-8-14-13(15-11)10-5-3-4-6-12(10)16/h3-9,16H,1-2H3.
What are the key properties of 2-(4-propan-2-ylpyrimidin-2-yl)phenol?
2-(4-propan-2-ylpyrimidin-2-yl)phenol has a molecular weight of 214.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 136866665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).