N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine

C14H16FN3O2 — CID 107171811

IUPACN-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(C)c(F)c2)c1OC
InChIInChI=1S/C14H16FN3O2/c1-4-16-13-12(19-3)14(18-8-17-13)20-10-6-5-9(2)11(15)7-10/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyIWNIWSUHHFPNHH-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.16
Rot. Bonds5

About N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine

N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine (PubChem CID 107171811) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine
PubChem CID107171811
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(C)c(F)c2)c1OC
InChIInChI=1S/C14H16FN3O2/c1-4-16-13-12(19-3)14(18-8-17-13)20-10-6-5-9(2)11(15)7-10/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyIWNIWSUHHFPNHH-UHFFFAOYSA-N
XLogP3.16
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine (CID 107171811) is N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine is CCNc1ncnc(Oc2ccc(C)c(F)c2)c1OC.
What is the InChIKey of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine?
The InChIKey is IWNIWSUHHFPNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-4-16-13-12(19-3)14(18-8-17-13)20-10-6-5-9(2)11(15)7-10/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine?
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine has a molecular weight of 277.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 107171811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).