4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine

C17H21ClN2O — CID 63504492

IUPAC4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine
SMILESCCc1ccc(Oc2cc(C)nc(Cl)n2)c(C(C)(C)C)c1
InChIInChI=1S/C17H21ClN2O/c1-6-12-7-8-14(13(10-12)17(3,4)5)21-15-9-11(2)19-16(18)20-15/h7-10H,6H2,1-5H3
InChIKeyJOCHMBGJBSMYQN-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.09
Rot. Bonds3

About 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine

4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine (PubChem CID 63504492) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine
PubChem CID63504492
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine
SMILESCCc1ccc(Oc2cc(C)nc(Cl)n2)c(C(C)(C)C)c1
InChIInChI=1S/C17H21ClN2O/c1-6-12-7-8-14(13(10-12)17(3,4)5)21-15-9-11(2)19-16(18)20-15/h7-10H,6H2,1-5H3
InChIKeyJOCHMBGJBSMYQN-UHFFFAOYSA-N
XLogP5.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine 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

6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine
CID 80866692
4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine
CID 63506097
4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine
CID 80862418
5-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-amine
CID 80663583
[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol
CID 61255013
[6-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-yl]hydrazine
CID 80909040
2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine
CID 55080992
4-(2-tert-butyl-4-ethylphenoxy)benzonitrile
CID 20989459
6-(2-tert-butyl-4-ethylphenoxy)-5-methylpyridin-3-amine
CID 63458814
4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine
CID 62477097
2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole
CID 64625478
2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
CID 62477434

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine?
The IUPAC name of 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine (CID 63504492) is 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine.
What is the SMILES notation for 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine?
The canonical SMILES for 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine is CCc1ccc(Oc2cc(C)nc(Cl)n2)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine?
The InChIKey is JOCHMBGJBSMYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-6-12-7-8-14(13(10-12)17(3,4)5)21-15-9-11(2)19-16(18)20-15/h7-10H,6H2,1-5H3.
What are the key properties of 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine?
4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine has a molecular weight of 304.82 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine is sourced from PubChem (CID 63504492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).