6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine

C19H19FN6O2 — CID 90310811

IUPAC6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1
InChIInChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
InChIKeyWQCQXNXXWUCFCN-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.31
Rot. Bonds5

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

6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine (PubChem CID 90310811) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
PubChem CID90310811
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1
InChIInChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26)
InChIKeyWQCQXNXXWUCFCN-UHFFFAOYSA-N
XLogP3.31
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine?
The IUPAC name of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine (CID 90310811) is 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine?
The canonical SMILES for 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine is COc1nc(N)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1.
What is the InChIKey of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine?
The InChIKey is WQCQXNXXWUCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-27-19-25-14(21)7-16(26-19)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-15(22)9-23-13/h5-10H,2-4H2,1H3,(H2,22,24)(H2,21,25,26).
What are the key properties of 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine?
6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine has a molecular weight of 382.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 90310811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).