1-phenyl-2-pyrimidin-4-ylethanol

C12H12N2O — CID 2737632

IUPAC1-phenyl-2-pyrimidin-4-ylethanol
SMILESOC(Cc1ccncn1)c1ccccc1
InChIInChI=1S/C12H12N2O/c15-12(10-4-2-1-3-5-10)8-11-6-7-13-9-14-11/h1-7,9,12,15H,8H2
InChIKeyJRVGCMBZIWTFKD-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.75
Rot. Bonds3

About 1-phenyl-2-pyrimidin-4-ylethanol

1-phenyl-2-pyrimidin-4-ylethanol (PubChem CID 2737632) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-phenyl-2-pyrimidin-4-ylethanol.

Molecular Properties

Compound Name1-phenyl-2-pyrimidin-4-ylethanol
PubChem CID2737632
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-phenyl-2-pyrimidin-4-ylethanol
SMILESOC(Cc1ccncn1)c1ccccc1
InChIInChI=1S/C12H12N2O/c15-12(10-4-2-1-3-5-10)8-11-6-7-13-9-14-11/h1-7,9,12,15H,8H2
InChIKeyJRVGCMBZIWTFKD-UHFFFAOYSA-N
XLogP1.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrimidin-4-ylethanol?
The IUPAC name of 1-phenyl-2-pyrimidin-4-ylethanol (CID 2737632) is 1-phenyl-2-pyrimidin-4-ylethanol.
What is the SMILES notation for 1-phenyl-2-pyrimidin-4-ylethanol?
The canonical SMILES for 1-phenyl-2-pyrimidin-4-ylethanol is OC(Cc1ccncn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrimidin-4-ylethanol?
The InChIKey is JRVGCMBZIWTFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12(10-4-2-1-3-5-10)8-11-6-7-13-9-14-11/h1-7,9,12,15H,8H2.
What are the key properties of 1-phenyl-2-pyrimidin-4-ylethanol?
1-phenyl-2-pyrimidin-4-ylethanol has a molecular weight of 200.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrimidin-4-ylethanol is sourced from PubChem (CID 2737632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).