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

C20H21FN6O2 — CID 90310859

IUPAC4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine
SMILESCOCc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1
InChIInChI=1S/C20H21FN6O2/c1-28-10-12-7-17(27-20(23)26-12)29-19-13(11-3-2-4-11)5-6-14(18(19)21)15-8-25-16(22)9-24-15/h5-9,11H,2-4,10H2,1H3,(H2,22,25)(H2,23,26,27)
InChIKeyOXVYCYSTQBYTIO-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.44
Rot. Bonds6

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

4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine (PubChem CID 90310859) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine
PubChem CID90310859
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine
SMILESCOCc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1
InChIInChI=1S/C20H21FN6O2/c1-28-10-12-7-17(27-20(23)26-12)29-19-13(11-3-2-4-11)5-6-14(18(19)21)15-8-25-16(22)9-24-15/h5-9,11H,2-4,10H2,1H3,(H2,22,25)(H2,23,26,27)
InChIKeyOXVYCYSTQBYTIO-UHFFFAOYSA-N
XLogP3.44
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine (CID 90310859) is 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine is COCc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1.
What is the InChIKey of 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine?
The InChIKey is OXVYCYSTQBYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-28-10-12-7-17(27-20(23)26-12)29-19-13(11-3-2-4-11)5-6-14(18(19)21)15-8-25-16(22)9-24-15/h5-9,11H,2-4,10H2,1H3,(H2,22,25)(H2,23,26,27).
What are the key properties of 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine?
4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine has a molecular weight of 396.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-6-(methoxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 90310859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).