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

C14H17N3O — CID 80864323

IUPAC6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1cc(C)cc(Oc2nc(C)nc(N)c2C)c1
InChIInChI=1S/C14H17N3O/c1-8-5-9(2)7-12(6-8)18-14-10(3)13(15)16-11(4)17-14/h5-7H,1-4H3,(H2,15,16,17)
InChIKeyLLDQQCFBIOTLSP-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.08
Rot. Bonds2

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

6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine (PubChem CID 80864323) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine
PubChem CID80864323
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1cc(C)cc(Oc2nc(C)nc(N)c2C)c1
InChIInChI=1S/C14H17N3O/c1-8-5-9(2)7-12(6-8)18-14-10(3)13(15)16-11(4)17-14/h5-7H,1-4H3,(H2,15,16,17)
InChIKeyLLDQQCFBIOTLSP-UHFFFAOYSA-N
XLogP3.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine (CID 80864323) is 6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine is Cc1cc(C)cc(Oc2nc(C)nc(N)c2C)c1.
What is the InChIKey of 6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is LLDQQCFBIOTLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-5-9(2)7-12(6-8)18-14-10(3)13(15)16-11(4)17-14/h5-7H,1-4H3,(H2,15,16,17).
What are the key properties of 6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine?
6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80864323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).