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5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine

C22H24FN5 — CID 139439455

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine
SMILESCC(C)c1nccc(Cc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1
InChIInChI=1S/C22H24FN5/c1-13(2)22-25-9-8-15(28-22)10-18-16(14-4-3-5-14)6-7-17(21(18)23)19-11-27-20(24)12-26-19/h6-9,11-14H,3-5,10H2,1-2H3,(H2,24,27)
InChIKeySVWGKWAUTHJIKH-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.64
Rot. Bonds5

About 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine

5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine (PubChem CID 139439455) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine
PubChem CID139439455
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine
SMILESCC(C)c1nccc(Cc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1
InChIInChI=1S/C22H24FN5/c1-13(2)22-25-9-8-15(28-22)10-18-16(14-4-3-5-14)6-7-17(21(18)23)19-11-27-20(24)12-26-19/h6-9,11-14H,3-5,10H2,1-2H3,(H2,24,27)
InChIKeySVWGKWAUTHJIKH-UHFFFAOYSA-N
XLogP4.64
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine (CID 139439455) is 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine is CC(C)c1nccc(Cc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1.
What is the InChIKey of 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine?
The InChIKey is SVWGKWAUTHJIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-13(2)22-25-9-8-15(28-22)10-18-16(14-4-3-5-14)6-7-17(21(18)23)19-11-27-20(24)12-26-19/h6-9,11-14H,3-5,10H2,1-2H3,(H2,24,27).
What are the key properties of 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine?
5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclobutyl-2-fluoro-3-[(2-propan-2-ylpyrimidin-4-yl)methyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 139439455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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