6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine

C15H19N3O — CID 80864233

IUPAC6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cc(C)ccc2C)c1C
InChIInChI=1S/C15H19N3O/c1-5-16-14-12(4)15(18-9-17-14)19-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyBEPGRFAZPOXNMD-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.63
Rot. Bonds4

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

6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80864233) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80864233
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cc(C)ccc2C)c1C
InChIInChI=1S/C15H19N3O/c1-5-16-14-12(4)15(18-9-17-14)19-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyBEPGRFAZPOXNMD-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80878423
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980
6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine (CID 80864233) is 6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(Oc2cc(C)ccc2C)c1C.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is BEPGRFAZPOXNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-16-14-12(4)15(18-9-17-14)19-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80864233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).