2-methyl-3-(2H-pyrimidin-1-yl)phenol

C11H12N2O — CID 174700294

IUPAC2-methyl-3-(2H-pyrimidin-1-yl)phenol
SMILESCc1c(O)cccc1N1C=CC=NC1
InChIInChI=1S/C11H12N2O/c1-9-10(4-2-5-11(9)14)13-7-3-6-12-8-13/h2-7,14H,8H2,1H3
InChIKeyVZENSIUUDFYXOO-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.06
Rot. Bonds1

About 2-methyl-3-(2H-pyrimidin-1-yl)phenol

2-methyl-3-(2H-pyrimidin-1-yl)phenol (PubChem CID 174700294) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-3-(2H-pyrimidin-1-yl)phenol.

Molecular Properties

Compound Name2-methyl-3-(2H-pyrimidin-1-yl)phenol
PubChem CID174700294
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-methyl-3-(2H-pyrimidin-1-yl)phenol
SMILESCc1c(O)cccc1N1C=CC=NC1
InChIInChI=1S/C11H12N2O/c1-9-10(4-2-5-11(9)14)13-7-3-6-12-8-13/h2-7,14H,8H2,1H3
InChIKeyVZENSIUUDFYXOO-UHFFFAOYSA-N
XLogP2.06
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2H-pyrimidin-1-yl)phenol?
The IUPAC name of 2-methyl-3-(2H-pyrimidin-1-yl)phenol (CID 174700294) is 2-methyl-3-(2H-pyrimidin-1-yl)phenol.
What is the SMILES notation for 2-methyl-3-(2H-pyrimidin-1-yl)phenol?
The canonical SMILES for 2-methyl-3-(2H-pyrimidin-1-yl)phenol is Cc1c(O)cccc1N1C=CC=NC1.
What is the InChIKey of 2-methyl-3-(2H-pyrimidin-1-yl)phenol?
The InChIKey is VZENSIUUDFYXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-10(4-2-5-11(9)14)13-7-3-6-12-8-13/h2-7,14H,8H2,1H3.
What are the key properties of 2-methyl-3-(2H-pyrimidin-1-yl)phenol?
2-methyl-3-(2H-pyrimidin-1-yl)phenol has a molecular weight of 188.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2H-pyrimidin-1-yl)phenol is sourced from PubChem (CID 174700294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).