6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine

C14H17N3O — CID 80862829

IUPAC6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(C)cc2C)ncn1
InChIInChI=1S/C14H17N3O/c1-4-15-13-8-14(17-9-16-13)18-12-6-5-10(2)7-11(12)3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyDHGTVIBVTRSCOU-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.32
Rot. Bonds4

About 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine

6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 80862829) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
PubChem CID80862829
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(C)cc2C)ncn1
InChIInChI=1S/C14H17N3O/c1-4-15-13-8-14(17-9-16-13)18-12-6-5-10(2)7-11(12)3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyDHGTVIBVTRSCOU-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-tert-butyl-5-methylphenoxy)-N-ethylpyrimidin-4-amine
CID 80864924
6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80862793
6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875006
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
N-ethyl-6-(3-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80875927
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
CID 60726049
6-(2-bromo-4-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80881299
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 107727323
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80881551
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine (CID 80862829) is 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2ccc(C)cc2C)ncn1.
What is the InChIKey of 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is DHGTVIBVTRSCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-15-13-8-14(17-9-16-13)18-12-6-5-10(2)7-11(12)3/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80862829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).