N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine

C14H17N3O2S — CID 80869840

IUPACN-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccccc2OC)nc(SC)n1
InChIInChI=1S/C14H17N3O2S/c1-4-15-12-9-13(17-14(16-12)20-3)19-11-8-6-5-7-10(11)18-2/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyOHIJURLNUSPAQA-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.43
Rot. Bonds6

About N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine

N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80869840) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80869840
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccccc2OC)nc(SC)n1
InChIInChI=1S/C14H17N3O2S/c1-4-15-12-9-13(17-14(16-12)20-3)19-11-8-6-5-7-10(11)18-2/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyOHIJURLNUSPAQA-UHFFFAOYSA-N
XLogP3.43
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]-2-methylsulfanylpyrimidin-4-amine
CID 80882701
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 102989125
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 107287439
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
2-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80864961
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
6-(2,2-difluoroethoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 82010545
N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80860112
N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine
CID 81341322
6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80875276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine (CID 80869840) is N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(Oc2ccccc2OC)nc(SC)n1.
What is the InChIKey of N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is OHIJURLNUSPAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-15-12-9-13(17-14(16-12)20-3)19-11-8-6-5-7-10(11)18-2/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine?
N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80869840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).