6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine

C13H13Cl2N3OS — CID 80862821

IUPAC6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(Cl)ccc2Cl)nc(SC)n1
InChIInChI=1S/C13H13Cl2N3OS/c1-3-16-11-7-12(18-13(17-11)20-2)19-10-6-8(14)4-5-9(10)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyBSJJHTVFXFTBKU-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.73
Rot. Bonds5

About 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine

6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80862821) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80862821
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(Cl)ccc2Cl)nc(SC)n1
InChIInChI=1S/C13H13Cl2N3OS/c1-3-16-11-7-12(18-13(17-11)20-2)19-10-6-8(14)4-5-9(10)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyBSJJHTVFXFTBKU-UHFFFAOYSA-N
XLogP4.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-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

N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80869840
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 102989125
N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]-2-methylsulfanylpyrimidin-4-amine
CID 80882701
6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 107287439
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80737949
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353
6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
CID 80941871
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine
CID 81341322
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80892361

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine (CID 80862821) is 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(Oc2cc(Cl)ccc2Cl)nc(SC)n1.
What is the InChIKey of 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is BSJJHTVFXFTBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-3-16-11-7-12(18-13(17-11)20-2)19-10-6-8(14)4-5-9(10)15/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 330.24 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80862821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).