6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine

C17H23N3O — CID 80866931

IUPAC6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Oc1cccc(C)c1C
InChIInChI=1S/C17H23N3O/c1-5-8-14-16(18-6-2)19-11-20-17(14)21-15-10-7-9-12(3)13(15)4/h7,9-11H,5-6,8H2,1-4H3,(H,18,19,20)
InChIKeyAHSOPQWIXHNSOY-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.27
Rot. Bonds6

About 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine

6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 80866931) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID80866931
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Oc1cccc(C)c1C
InChIInChI=1S/C17H23N3O/c1-5-8-14-16(18-6-2)19-11-20-17(14)21-15-10-7-9-12(3)13(15)4/h7,9-11H,5-6,8H2,1-4H3,(H,18,19,20)
InChIKeyAHSOPQWIXHNSOY-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80864705
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80881870
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80864915
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
6-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 81346872
6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82807487
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662865
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine (CID 80866931) is 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1Oc1cccc(C)c1C.
What is the InChIKey of 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is AHSOPQWIXHNSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-8-14-16(18-6-2)19-11-20-17(14)21-15-10-7-9-12(3)13(15)4/h7,9-11H,5-6,8H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine?
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80866931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).