6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine

C14H18N4O — CID 80941864

IUPAC6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H18N4O/c1-4-13-16-12(15)9-14(17-13)19-11-7-5-6-10(8-11)18(2)3/h5-9H,4H2,1-3H3,(H2,15,16,17)
InChIKeyVYLSAONNFFUGOM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds4

About 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine

6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine (PubChem CID 80941864) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine
PubChem CID80941864
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H18N4O/c1-4-13-16-12(15)9-14(17-13)19-11-7-5-6-10(8-11)18(2)3/h5-9H,4H2,1-3H3,(H2,15,16,17)
InChIKeyVYLSAONNFFUGOM-UHFFFAOYSA-N
XLogP2.48
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
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]-N,2-diethylpyrimidin-4-amine
CID 80939069
6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80962777
2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
CID 80941964
6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
CID 80942481
2-ethyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80941255
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920296
6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
CID 80943062
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
CID 80871143
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine
CID 80936309
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine (CID 80941864) is 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(Oc2cccc(N(C)C)c2)n1.
What is the InChIKey of 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine?
The InChIKey is VYLSAONNFFUGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-13-16-12(15)9-14(17-13)19-11-7-5-6-10(8-11)18(2)3/h5-9H,4H2,1-3H3,(H2,15,16,17).
What are the key properties of 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine?
6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80941864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).