2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine

C15H16FN3O — CID 102989022

IUPAC2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc(F)ccc2C)nc(C2CC2)n1
InChIInChI=1S/C15H16FN3O/c1-9-3-6-11(16)7-12(9)20-14-8-13(17-2)18-15(19-14)10-4-5-10/h3,6-8,10H,4-5H2,1-2H3,(H,17,18,19)
InChIKeyVJXHOUHXYQOLNZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine

2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine (PubChem CID 102989022) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
PubChem CID102989022
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc(F)ccc2C)nc(C2CC2)n1
InChIInChI=1S/C15H16FN3O/c1-9-3-6-11(16)7-12(9)20-14-8-13(17-2)18-15(19-14)10-4-5-10/h3,6-8,10H,4-5H2,1-2H3,(H,17,18,19)
InChIKeyVJXHOUHXYQOLNZ-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine (CID 102989022) is 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine is CNc1cc(Oc2cc(F)ccc2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is VJXHOUHXYQOLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-9-3-6-11(16)7-12(9)20-14-8-13(17-2)18-15(19-14)10-4-5-10/h3,6-8,10H,4-5H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 273.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(5-fluoro-2-methylphenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 102989022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).