4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine

C13H13ClN2O — CID 60726025

IUPAC4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine
SMILESCC(C)c1ccc(Oc2cc(Cl)ncn2)cc1
InChIInChI=1S/C13H13ClN2O/c1-9(2)10-3-5-11(6-4-10)17-13-7-12(14)15-8-16-13/h3-9H,1-2H3
InChIKeyKNJDRUWGXKSSAQ-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.05
Rot. Bonds3

About 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine

4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine (PubChem CID 60726025) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine
PubChem CID60726025
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine
SMILESCC(C)c1ccc(Oc2cc(Cl)ncn2)cc1
InChIInChI=1S/C13H13ClN2O/c1-9(2)10-3-5-11(6-4-10)17-13-7-12(14)15-8-16-13/h3-9H,1-2H3
InChIKeyKNJDRUWGXKSSAQ-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine 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

4-chloro-6-(3,5-dimethylphenoxy)pyrimidine
CID 22425300
1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
CID 16643300
5-chloro-2-(4-propan-2-ylphenoxy)pyridine
CID 66234556
4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine
CID 107723121
4-chloro-6-(3-ethoxyphenoxy)pyrimidine
CID 55061243
3-(6-chloropyrimidin-4-yl)oxyaniline
CID 95928501
4-chloro-6-(1-phenylethoxy)pyrimidine
CID 61279152
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
6-(4-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80632252
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 62253003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine (CID 60726025) is 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine is CC(C)c1ccc(Oc2cc(Cl)ncn2)cc1.
What is the InChIKey of 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine?
The InChIKey is KNJDRUWGXKSSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9(2)10-3-5-11(6-4-10)17-13-7-12(14)15-8-16-13/h3-9H,1-2H3.
What are the key properties of 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine?
4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine has a molecular weight of 248.71 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 60726025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).