4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine

C12H11Cl2N3O — CID 60726316

IUPAC4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
SMILESCCc1cc(Oc2ncnc(Cl)c2N)ccc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-2-7-5-8(3-4-9(7)13)18-12-10(15)11(14)16-6-17-12/h3-6H,2,15H2,1H3
InChIKeyGLACRQGNHGNONX-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.72
Rot. Bonds3

About 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine

4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine (PubChem CID 60726316) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
PubChem CID60726316
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
SMILESCCc1cc(Oc2ncnc(Cl)c2N)ccc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-2-7-5-8(3-4-9(7)13)18-12-10(15)11(14)16-6-17-12/h3-6H,2,15H2,1H3
InChIKeyGLACRQGNHGNONX-UHFFFAOYSA-N
XLogP3.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 60726327
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
4-chloro-6-(4-iodophenoxy)pyrimidin-5-amine
CID 63022073
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
CID 60726041
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
CID 106891009
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
CID 63462551
4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine
CID 60726811
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
CID 83123923

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine (CID 60726316) is 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine is CCc1cc(Oc2ncnc(Cl)c2N)ccc1Cl.
What is the InChIKey of 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine?
The InChIKey is GLACRQGNHGNONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-2-7-5-8(3-4-9(7)13)18-12-10(15)11(14)16-6-17-12/h3-6H,2,15H2,1H3.
What are the key properties of 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine?
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine has a molecular weight of 284.15 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 60726316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).