2-(3-chlorophenoxy)-4,6-dimethylpyrimidine

C12H11ClN2O — CID 171984782

IUPAC2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O/c1-8-6-9(2)15-12(14-8)16-11-5-3-4-10(13)7-11/h3-7H,1-2H3
InChIKeyHILUDJOJAJIRGX-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.54
Rot. Bonds2

About 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine

2-(3-chlorophenoxy)-4,6-dimethylpyrimidine (PubChem CID 171984782) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
PubChem CID171984782
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O/c1-8-6-9(2)15-12(14-8)16-11-5-3-4-10(13)7-11/h3-7H,1-2H3
InChIKeyHILUDJOJAJIRGX-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol
CID 79869654
5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
[2-(3-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175170
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
4-chloro-6-methyl-2-pyridin-3-yloxypyrimidine
CID 134341161
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
CID 43518893
5-[(4-chlorophenyl)methyl]-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 108778080
N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83187072
1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
CID 170985153

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine (CID 171984782) is 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine is Cc1cc(C)nc(Oc2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine?
The InChIKey is HILUDJOJAJIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-6-9(2)15-12(14-8)16-11-5-3-4-10(13)7-11/h3-7H,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine?
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine has a molecular weight of 234.69 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-4,6-dimethylpyrimidine is sourced from PubChem (CID 171984782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).