3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol

C11H8Cl2N2O — CID 63613324

IUPAC3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
SMILESCc1c(Cl)nc(-c2cccc(O)c2)nc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-6-9(12)14-11(15-10(6)13)7-3-2-4-8(16)5-7/h2-5,16H,1H3
InChIKeyTXLLOHKGYQXFPE-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.46
Rot. Bonds1

About 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol

3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol (PubChem CID 63613324) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
PubChem CID63613324
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
SMILESCc1c(Cl)nc(-c2cccc(O)c2)nc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-6-9(12)14-11(15-10(6)13)7-3-2-4-8(16)5-7/h2-5,16H,1H3
InChIKeyTXLLOHKGYQXFPE-UHFFFAOYSA-N
XLogP3.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol 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 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol?
The IUPAC name of 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol (CID 63613324) is 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol is Cc1c(Cl)nc(-c2cccc(O)c2)nc1Cl.
What is the InChIKey of 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol?
The InChIKey is TXLLOHKGYQXFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-6-9(12)14-11(15-10(6)13)7-3-2-4-8(16)5-7/h2-5,16H,1H3.
What are the key properties of 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol?
3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol has a molecular weight of 255.10 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol is sourced from PubChem (CID 63613324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).