2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine

C16H20FN3O — CID 107662786

IUPAC2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2cccc(C)c2F)nc(CC)n1
InChIInChI=1S/C16H20FN3O/c1-4-9-18-14-10-15(20-13(5-2)19-14)21-12-8-6-7-11(3)16(12)17/h6-8,10H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyLSQFHDCIJCDXNT-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.10
Rot. Bonds6

About 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine

2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine (PubChem CID 107662786) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine
PubChem CID107662786
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2cccc(C)c2F)nc(CC)n1
InChIInChI=1S/C16H20FN3O/c1-4-9-18-14-10-15(20-13(5-2)19-14)21-12-8-6-7-11(3)16(12)17/h6-8,10H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyLSQFHDCIJCDXNT-UHFFFAOYSA-N
XLogP4.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylphenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938683
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80966037
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644
N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine
CID 107662726
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine (CID 107662786) is 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2cccc(C)c2F)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is LSQFHDCIJCDXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-9-18-14-10-15(20-13(5-2)19-14)21-12-8-6-7-11(3)16(12)17/h6-8,10H,4-5,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine?
2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107662786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).