6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine

C13H14ClN3O — CID 80875265

IUPAC6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
SMILESCc1cc(Oc2ncnc(N)c2C)cc(C)c1Cl
InChIInChI=1S/C13H14ClN3O/c1-7-4-10(5-8(2)11(7)14)18-13-9(3)12(15)16-6-17-13/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyNZZHLXRLLBSYLB-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.43
Rot. Bonds2

About 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine

6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80875265) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
PubChem CID80875265
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
SMILESCc1cc(Oc2ncnc(N)c2C)cc(C)c1Cl
InChIInChI=1S/C13H14ClN3O/c1-7-4-10(5-8(2)11(7)14)18-13-9(3)12(15)16-6-17-13/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyNZZHLXRLLBSYLB-UHFFFAOYSA-N
XLogP3.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine
CID 102987996
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879504
6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
CID 19144528
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144668
6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103589669
6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine
CID 107727388
6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 116691260

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine (CID 80875265) is 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine is Cc1cc(Oc2ncnc(N)c2C)cc(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is NZZHLXRLLBSYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-7-4-10(5-8(2)11(7)14)18-13-9(3)12(15)16-6-17-13/h4-6H,1-3H3,(H2,15,16,17).
What are the key properties of 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine?
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80875265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).