4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine

C20H21FN6O — CID 90310615

IUPAC4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1
InChIInChI=1S/C20H21FN6O/c1-11-8-17(27-20(23-2)26-11)28-19-13(12-4-3-5-12)6-7-14(18(19)21)15-9-25-16(22)10-24-15/h6-10,12H,3-5H2,1-2H3,(H2,22,25)(H,23,26,27)
InChIKeyLINAHKXMUJXLIG-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.06
Rot. Bonds5

About 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine

4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine (PubChem CID 90310615) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine
PubChem CID90310615
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1
InChIInChI=1S/C20H21FN6O/c1-11-8-17(27-20(23-2)26-11)28-19-13(12-4-3-5-12)6-7-14(18(19)21)15-9-25-16(22)10-24-15/h6-10,12H,3-5H2,1-2H3,(H2,22,25)(H,23,26,27)
InChIKeyLINAHKXMUJXLIG-UHFFFAOYSA-N
XLogP4.06
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine (CID 90310615) is 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1.
What is the InChIKey of 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is LINAHKXMUJXLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-11-8-17(27-20(23-2)26-11)28-19-13(12-4-3-5-12)6-7-14(18(19)21)15-9-25-16(22)10-24-15/h6-10,12H,3-5H2,1-2H3,(H2,22,25)(H,23,26,27).
What are the key properties of 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine?
4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 380.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 90310615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).