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

C13H14ClN3O — CID 80878189

IUPAC6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1cc(Cl)ccc1C
InChIInChI=1S/C13H14ClN3O/c1-3-10-12(15)16-7-17-13(10)18-11-6-9(14)5-4-8(11)2/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyYNNXWSJJCHDCJU-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.38
Rot. Bonds3

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

6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine (PubChem CID 80878189) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
PubChem CID80878189
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1cc(Cl)ccc1C
InChIInChI=1S/C13H14ClN3O/c1-3-10-12(15)16-7-17-13(10)18-11-6-9(14)5-4-8(11)2/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyYNNXWSJJCHDCJU-UHFFFAOYSA-N
XLogP3.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508376
6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869041
5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine
CID 114046402
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine
CID 80878866
6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80867275
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107501817
[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 102989646
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747880
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine (CID 80878189) is 6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1Oc1cc(Cl)ccc1C.
What is the InChIKey of 6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine?
The InChIKey is YNNXWSJJCHDCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-10-12(15)16-7-17-13(10)18-11-6-9(14)5-4-8(11)2/h4-7H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine?
6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 80878189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).