1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol

C13H14N2O2 — CID 155554501

IUPAC1-(2-methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol
SMILESCC1=NC(=CC(=N1)C(CO)O)C2=CC=CC=C2
InChIInChI=1S/C13H14N2O2/c1-9-14-11(10-5-3-2-4-6-10)7-12(15-9)13(17)8-16/h2-7,13,16-17H,8H2,1H3
InChIKeyUKJUBQMYUQWKRG-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.80
Rot. Bonds3

About 1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol

1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol (PubChem CID 155554501) has the molecular formula C13H14N2O2 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2-methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol
PubChem CID155554501
Molecular FormulaC13H14N2O2
Molecular Weight230.26 g/mol
Exact Mass230.11
IUPAC Name1-(2-methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol
SMILESCC1=NC(=CC(=N1)C(CO)O)C2=CC=CC=C2
InChIInChI=1S/C13H14N2O2/c1-9-14-11(10-5-3-2-4-6-10)7-12(15-9)13(17)8-16/h2-7,13,16-17H,8H2,1H3
InChIKeyUKJUBQMYUQWKRG-UHFFFAOYSA-N
XLogP0.80
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity231

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol?
The IUPAC name of 1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol (CID 155554501) is 1-(2-methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol is CC1=NC(=CC(=N1)C(CO)O)C2=CC=CC=C2.
What is the InChIKey of 1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol?
The InChIKey is UKJUBQMYUQWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-14-11(10-5-3-2-4-6-10)7-12(15-9)13(17)8-16/h2-7,13,16-17H,8H2,1H3.
What are the key properties of 1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol?
1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol has a molecular weight of 230.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Methyl-6-phenylpyrimidin-4-yl)ethane-1,2-diol is sourced from PubChem (CID 155554501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).