4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine

C19H18ClN3O2 — CID 19153248

IUPAC4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
SMILESCCc1ccc(Oc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1
InChIInChI=1S/C19H18ClN3O2/c1-3-13-4-6-14(7-5-13)24-18-17(21)19(23-11-22-18)25-15-8-9-16(20)12(2)10-15/h4-11H,3,21H2,1-2H3
InChIKeyUKGUIRWRBWMTBE-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.17
Rot. Bonds5

About 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine

4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine (PubChem CID 19153248) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
PubChem CID19153248
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
SMILESCCc1ccc(Oc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1
InChIInChI=1S/C19H18ClN3O2/c1-3-13-4-6-14(7-5-13)24-18-17(21)19(23-11-22-18)25-15-8-9-16(20)12(2)10-15/h4-11H,3,21H2,1-2H3
InChIKeyUKGUIRWRBWMTBE-UHFFFAOYSA-N
XLogP5.17
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine 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-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
CID 19135502
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141838
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
6-(4-ethylphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540621
ethyl 4-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19153249
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547316
4-(4-chloro-3-methylphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140371
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine
CID 19147139
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine (CID 19153248) is 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine is CCc1ccc(Oc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine?
The InChIKey is UKGUIRWRBWMTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-3-13-4-6-14(7-5-13)24-18-17(21)19(23-11-22-18)25-15-8-9-16(20)12(2)10-15/h4-11H,3,21H2,1-2H3.
What are the key properties of 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine?
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine has a molecular weight of 355.83 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19153248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).