5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine

C16H22FN5O2 — CID 50951623

IUPAC5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCC(C)Cc1cc(CNc2ncc(F)c(N3CCOCC3)n2)no1
InChIInChI=1S/C16H22FN5O2/c1-11(2)7-13-8-12(21-24-13)9-18-16-19-10-14(17)15(20-16)22-3-5-23-6-4-22/h8,10-11H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyPWENRUWJHHATME-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.25
Rot. Bonds6

About 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine

5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50951623) has the molecular formula C16H22FN5O2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50951623
Molecular FormulaC16H22FN5O2
Molecular Weight335.38 g/mol
Exact Mass335.18
IUPAC Name5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCC(C)Cc1cc(CNc2ncc(F)c(N3CCOCC3)n2)no1
InChIInChI=1S/C16H22FN5O2/c1-11(2)7-13-8-12(21-24-13)9-18-16-19-10-14(17)15(20-16)22-3-5-23-6-4-22/h8,10-11H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyPWENRUWJHHATME-UHFFFAOYSA-N
XLogP2.25
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine (CID 50951623) is 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine is CC(C)Cc1cc(CNc2ncc(F)c(N3CCOCC3)n2)no1.
What is the InChIKey of 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is PWENRUWJHHATME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O2/c1-11(2)7-13-8-12(21-24-13)9-18-16-19-10-14(17)15(20-16)22-3-5-23-6-4-22/h8,10-11H,3-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine?
5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 335.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50951623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).