6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine

C14H16ClN3O — CID 80942372

IUPAC6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-4-12-17-13(16-3)8-14(18-12)19-11-6-5-9(2)7-10(11)15/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyUTVHWOBKIFYZDJ-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.83
Rot. Bonds4

About 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine

6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80942372) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
PubChem CID80942372
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-4-12-17-13(16-3)8-14(18-12)19-11-6-5-9(2)7-10(11)15/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyUTVHWOBKIFYZDJ-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-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

[2-ethyl-6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80940996
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
CID 80942843
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80938888
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643
2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80941455
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103
[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938715

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine (CID 80942372) is 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(Oc2ccc(C)cc2Cl)n1.
What is the InChIKey of 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is UTVHWOBKIFYZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-4-12-17-13(16-3)8-14(18-12)19-11-6-5-9(2)7-10(11)15/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine?
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80942372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).