4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine

C11H9Cl2N3O — CID 60726041

IUPAC4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Cl)c(Oc2ncnc(Cl)c2N)c1
InChIInChI=1S/C11H9Cl2N3O/c1-6-2-3-7(12)8(4-6)17-11-9(14)10(13)15-5-16-11/h2-5H,14H2,1H3
InChIKeyFUMGZQKGPUSRET-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.47
Rot. Bonds2

About 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine

4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine (PubChem CID 60726041) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
PubChem CID60726041
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Cl)c(Oc2ncnc(Cl)c2N)c1
InChIInChI=1S/C11H9Cl2N3O/c1-6-2-3-7(12)8(4-6)17-11-9(14)10(13)15-5-16-11/h2-5H,14H2,1H3
InChIKeyFUMGZQKGPUSRET-UHFFFAOYSA-N
XLogP3.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(2-chlorophenoxy)pyrimidin-5-amine
CID 46172362
2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde
CID 87405593
4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
CID 62101505
5-chloro-6-(2-chloro-5-methylphenoxy)pyridin-3-amine
CID 114046386
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
CID 60706705
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
CID 60726066
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917240
4-chloro-6-(2-chloro-5-methylphenoxy)-2,5-dimethylpyrimidine
CID 55229856
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
6-(2-chloro-5-methylphenoxy)quinolin-5-amine
CID 43809883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine (CID 60726041) is 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine is Cc1ccc(Cl)c(Oc2ncnc(Cl)c2N)c1.
What is the InChIKey of 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine?
The InChIKey is FUMGZQKGPUSRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-6-2-3-7(12)8(4-6)17-11-9(14)10(13)15-5-16-11/h2-5H,14H2,1H3.
What are the key properties of 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine?
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine has a molecular weight of 270.12 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 60726041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).