3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline

C14H16ClN3O — CID 80944453

IUPAC3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
SMILESCCc1nc(Cl)cc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H16ClN3O/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
InChIKeyIPFBQTJWMZYFLK-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.55
Rot. Bonds4

About 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline

3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline (PubChem CID 80944453) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
PubChem CID80944453
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
SMILESCCc1nc(Cl)cc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H16ClN3O/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
InChIKeyIPFBQTJWMZYFLK-UHFFFAOYSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(dimethylamino)phenoxy]-2-ethylpyrimidin-4-amine
CID 80941864
6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
CID 80939069
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
3-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylaniline
CID 106766765
4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
CID 80943114
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
CID 80944144
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
CID 80664031
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80935558
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
CID 80871143
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The IUPAC name of 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline (CID 80944453) is 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline.
What is the SMILES notation for 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The canonical SMILES for 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline is CCc1nc(Cl)cc(Oc2cccc(N(C)C)c2)n1.
What is the InChIKey of 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The InChIKey is IPFBQTJWMZYFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/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.
What are the key properties of 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline has a molecular weight of 277.75 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline is sourced from PubChem (CID 80944453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).