6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine

C16H22N4O — CID 80939069

IUPAC6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(N(C)C)c2)nc(CC)n1
InChIInChI=1S/C16H22N4O/c1-5-14-18-15(17-6-2)11-16(19-14)21-13-9-7-8-12(10-13)20(3)4/h7-11H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyASQRYSBWULGAMG-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.33
Rot. Bonds6

About 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine

6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine (PubChem CID 80939069) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
PubChem CID80939069
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(N(C)C)c2)nc(CC)n1
InChIInChI=1S/C16H22N4O/c1-5-14-18-15(17-6-2)11-16(19-14)21-13-9-7-8-12(10-13)20(3)4/h7-11H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyASQRYSBWULGAMG-UHFFFAOYSA-N
XLogP3.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80944453
6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine
CID 80941864
6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine
CID 80938863
6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
CID 83145689
[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
CID 80942920
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
CID 80871143
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine (CID 80939069) is 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine is CCNc1cc(Oc2cccc(N(C)C)c2)nc(CC)n1.
What is the InChIKey of 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine?
The InChIKey is ASQRYSBWULGAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-14-18-15(17-6-2)11-16(19-14)21-13-9-7-8-12(10-13)20(3)4/h7-11H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine?
6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 80939069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).