5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine

C16H19FN4O — CID 72851199

IUPAC5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCCc1c(C)nc(N)nc1N1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN4O/c1-3-14-10(2)19-16(18)20-15(14)21-8-13(9-21)22-12-6-4-11(17)5-7-12/h4-7,13H,3,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyJLTHZRYOUYCUBH-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.34
Rot. Bonds4

About 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine

5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 72851199) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID72851199
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCCc1c(C)nc(N)nc1N1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN4O/c1-3-14-10(2)19-16(18)20-15(14)21-8-13(9-21)22-12-6-4-11(17)5-7-12/h4-7,13H,3,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyJLTHZRYOUYCUBH-UHFFFAOYSA-N
XLogP2.34
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine (CID 72851199) is 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine is CCc1c(C)nc(N)nc1N1CC(Oc2ccc(F)cc2)C1.
What is the InChIKey of 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is JLTHZRYOUYCUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-3-14-10(2)19-16(18)20-15(14)21-8-13(9-21)22-12-6-4-11(17)5-7-12/h4-7,13H,3,8-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine?
5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 302.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 72851199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).