4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine

C16H19FN4O — CID 83281172

IUPAC4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCC1CCN(c2ncnc(Oc3ccc(F)cc3)c2N)CC1
InChIInChI=1S/C16H19FN4O/c1-11-6-8-21(9-7-11)15-14(18)16(20-10-19-15)22-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9,18H2,1H3
InChIKeyAEZCOKYPUXOCGH-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.23
Rot. Bonds3

About 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine

4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 83281172) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID83281172
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCC1CCN(c2ncnc(Oc3ccc(F)cc3)c2N)CC1
InChIInChI=1S/C16H19FN4O/c1-11-6-8-21(9-7-11)15-14(18)16(20-10-19-15)22-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9,18H2,1H3
InChIKeyAEZCOKYPUXOCGH-UHFFFAOYSA-N
XLogP3.23
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine (CID 83281172) is 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine is CC1CCN(c2ncnc(Oc3ccc(F)cc3)c2N)CC1.
What is the InChIKey of 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is AEZCOKYPUXOCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-6-8-21(9-7-11)15-14(18)16(20-10-19-15)22-13-4-2-12(17)3-5-13/h2-5,10-11H,6-9,18H2,1H3.
What are the key properties of 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 302.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 83281172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).