6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine

C14H17N3O — CID 80863903

IUPAC6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C14H17N3O/c1-4-15-13-8-14(17-9-16-13)18-12-6-5-10(2)11(3)7-12/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyNWTAKLRZCRBBSL-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.32
Rot. Bonds4

About 6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine

6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 80863903) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
PubChem CID80863903
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C14H17N3O/c1-4-15-13-8-14(17-9-16-13)18-12-6-5-10(2)11(3)7-12/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyNWTAKLRZCRBBSL-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-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 107727323
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875006
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955
[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80917345
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
6-(2-tert-butyl-5-methylphenoxy)-N-ethylpyrimidin-4-amine
CID 80864924
6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
CID 80874772
6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80862793

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine (CID 80863903) is 6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2ccc(C)c(C)c2)ncn1.
What is the InChIKey of 6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is NWTAKLRZCRBBSL-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)11(3)7-12/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
6-(3,4-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-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80863903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).