azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine

C21H25FN6O — CID 90319719

IUPACazane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine
SMILESCc1nc(C)c(C)c(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1.N
InChIInChI=1S/C21H22FN5O.H3N/c1-11-12(2)26-13(3)27-21(11)28-20-15(14-5-4-6-14)7-8-16(19(20)22)17-9-25-18(23)10-24-17;/h7-10,14H,4-6H2,1-3H3,(H2,23,25);1H3
InChIKeyFCAGNDQYNJPOAO-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.80
Rot. Bonds4

About azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine

azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine (PubChem CID 90319719) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine.

Molecular Properties

Compound Nameazane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine
PubChem CID90319719
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Nameazane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine
SMILESCc1nc(C)c(C)c(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1.N
InChIInChI=1S/C21H22FN5O.H3N/c1-11-12(2)26-13(3)27-21(11)28-20-15(14-5-4-6-14)7-8-16(19(20)22)17-9-25-18(23)10-24-17;/h7-10,14H,4-6H2,1-3H3,(H2,23,25);1H3
InChIKeyFCAGNDQYNJPOAO-UHFFFAOYSA-N
XLogP4.80
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine?
The IUPAC name of azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine (CID 90319719) is azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine.
What is the SMILES notation for azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine?
The canonical SMILES for azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine is Cc1nc(C)c(C)c(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1.N.
What is the InChIKey of azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine?
The InChIKey is FCAGNDQYNJPOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O.H3N/c1-11-12(2)26-13(3)27-21(11)28-20-15(14-5-4-6-14)7-8-16(19(20)22)17-9-25-18(23)10-24-17;/h7-10,14H,4-6H2,1-3H3,(H2,23,25);1H3.
What are the key properties of azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine?
azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine has a molecular weight of 396.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-[4-cyclobutyl-2-fluoro-3-(2,5,6-trimethylpyrimidin-4-yl)oxyphenyl]pyrazin-2-amine is sourced from PubChem (CID 90319719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).