N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine

C16H20FN3O — CID 107171713

IUPACN-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(C)c(F)c2)c1C(C)C
InChIInChI=1S/C16H20FN3O/c1-5-18-15-14(10(2)3)16(20-9-19-15)21-12-7-6-11(4)13(17)8-12/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyLAXJYSXCWLKOCS-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.27
Rot. Bonds5

About N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 107171713) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine
PubChem CID107171713
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(C)c(F)c2)c1C(C)C
InChIInChI=1S/C16H20FN3O/c1-5-18-15-14(10(2)3)16(20-9-19-15)21-12-7-6-11(4)13(17)8-12/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyLAXJYSXCWLKOCS-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine
CID 107171811
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
6-(3-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80869449
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
6-(4-bromo-2-fluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80875099
3,5-dichloro-N-ethyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107171826
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057
6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80863799
[6-(3-bromo-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 83238473
N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80883020
N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
CID 80861670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine (CID 107171713) is N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(Oc2ccc(C)c(F)c2)c1C(C)C.
What is the InChIKey of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is LAXJYSXCWLKOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-5-18-15-14(10(2)3)16(20-9-19-15)21-12-7-6-11(4)13(17)8-12/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107171713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).