N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine

C14H17N3O2 — CID 80870042

IUPACN-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(OC)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-4-15-13-10(2)14(17-9-16-13)19-12-7-5-11(18-3)6-8-12/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyJLXSRERHDKNOFF-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.02
Rot. Bonds5

About N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine

N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80870042) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
PubChem CID80870042
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(OC)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-4-15-13-10(2)14(17-9-16-13)19-12-7-5-11(18-3)6-8-12/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyJLXSRERHDKNOFF-UHFFFAOYSA-N
XLogP3.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 107669579
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine (CID 80870042) is N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine is CCNc1ncnc(Oc2ccc(OC)cc2)c1C.
What is the InChIKey of N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is JLXSRERHDKNOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-15-13-10(2)14(17-9-16-13)19-12-7-5-11(18-3)6-8-12/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80870042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).