6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine

C12H12ClN3O — CID 80864217

IUPAC6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(Cl)cc2)c1C
InChIInChI=1S/C12H12ClN3O/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeyUBRYHLUBAZDWKY-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.27
Rot. Bonds3

About 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine

6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80864217) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
PubChem CID80864217
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(Cl)cc2)c1C
InChIInChI=1S/C12H12ClN3O/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16)
InChIKeyUBRYHLUBAZDWKY-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 82717800
6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864099
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
6-(4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 2822070
6-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80873099
N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875633
6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80875455
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine (CID 80864217) is 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(Oc2ccc(Cl)cc2)c1C.
What is the InChIKey of 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is UBRYHLUBAZDWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine?
6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80864217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).