6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine

C13H15N3O — CID 80863928

IUPAC6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
SMILESCc1cccc(Oc2ncnc(N)c2C)c1C
InChIInChI=1S/C13H15N3O/c1-8-5-4-6-11(9(8)2)17-13-10(3)12(14)15-7-16-13/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyBNOUCPBAXJTMII-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.78
Rot. Bonds2

About 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine

6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80863928) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
PubChem CID80863928
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
SMILESCc1cccc(Oc2ncnc(N)c2C)c1C
InChIInChI=1S/C13H15N3O/c1-8-5-4-6-11(9(8)2)17-13-10(3)12(14)15-7-16-13/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyBNOUCPBAXJTMII-UHFFFAOYSA-N
XLogP2.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80864705
6-(2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80864729
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 116691260
5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
4,5-dimethyl-6-(2-methylphenoxy)pyrimidine
CID 165051493
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
4-(2,3-dimethylphenoxy)-6-methoxypyrimidine
CID 18736651
5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879504
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine (CID 80863928) is 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine is Cc1cccc(Oc2ncnc(N)c2C)c1C.
What is the InChIKey of 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is BNOUCPBAXJTMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-5-4-6-11(9(8)2)17-13-10(3)12(14)15-7-16-13/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine?
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 229.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80863928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).