5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine

C13H17FN6O — CID 50972795

IUPAC5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1nnc(CN(C)c2ncc(F)c(N3CCCC3)n2)o1
InChIInChI=1S/C13H17FN6O/c1-9-17-18-11(21-9)8-19(2)13-15-7-10(14)12(16-13)20-5-3-4-6-20/h7H,3-6,8H2,1-2H3
InChIKeyALEXQMLRVXVNJN-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.54
Rot. Bonds4

About 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine

5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 50972795) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID50972795
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1nnc(CN(C)c2ncc(F)c(N3CCCC3)n2)o1
InChIInChI=1S/C13H17FN6O/c1-9-17-18-11(21-9)8-19(2)13-15-7-10(14)12(16-13)20-5-3-4-6-20/h7H,3-6,8H2,1-2H3
InChIKeyALEXQMLRVXVNJN-UHFFFAOYSA-N
XLogP1.54
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 50972795) is 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is Cc1nnc(CN(C)c2ncc(F)c(N3CCCC3)n2)o1.
What is the InChIKey of 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is ALEXQMLRVXVNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-9-17-18-11(21-9)8-19(2)13-15-7-10(14)12(16-13)20-5-3-4-6-20/h7H,3-6,8H2,1-2H3.
What are the key properties of 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 292.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 50972795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).