3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine

C12H12ClN3O — CID 102987996

IUPAC3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine
SMILESCc1cc(Oc2nccnc2N)cc(C)c1Cl
InChIInChI=1S/C12H12ClN3O/c1-7-5-9(6-8(2)10(7)13)17-12-11(14)15-3-4-16-12/h3-6H,1-2H3,(H2,14,15)
InChIKeyHBVZZIDEYUMSQO-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.12
Rot. Bonds2

About 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine

3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine (PubChem CID 102987996) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine
PubChem CID102987996
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine
SMILESCc1cc(Oc2nccnc2N)cc(C)c1Cl
InChIInChI=1S/C12H12ClN3O/c1-7-5-9(6-8(2)10(7)13)17-12-11(14)15-3-4-16-12/h3-6H,1-2H3,(H2,14,15)
InChIKeyHBVZZIDEYUMSQO-UHFFFAOYSA-N
XLogP3.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-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-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
3-(2,4,5-trichlorophenoxy)pyrazin-2-amine
CID 102987702
6-(4-chloro-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80874729
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde
CID 114055694
8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80874590
3-(2-methylphenoxy)pyrazin-2-amine
CID 102987840
3-(2-chlorophenoxy)pyrazin-2-amine
CID 102987821
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
CID 61057608
3-(3-ethoxyphenoxy)pyrazin-2-amine
CID 102988136
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144668

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine?
The IUPAC name of 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine (CID 102987996) is 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine?
The canonical SMILES for 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine is Cc1cc(Oc2nccnc2N)cc(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine?
The InChIKey is HBVZZIDEYUMSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-5-9(6-8(2)10(7)13)17-12-11(14)15-3-4-16-12/h3-6H,1-2H3,(H2,14,15).
What are the key properties of 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine?
3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine is sourced from PubChem (CID 102987996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).