fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate

C12H12FN5O2 — CID 145415916

IUPACfluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESO=C(OF)[C@H]1CCCN1c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C12H12FN5O2/c13-20-11(19)9-2-1-6-18(9)10-3-4-15-12(16-10)17-7-5-14-8-17/h3-5,7-9H,1-2,6H2/t9-/m1/s1
InChIKeyNDGNKPZQLBSFMA-SECBINFHSA-N
MW277.26 g/mol
LogP1.06
Rot. Bonds3

About fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate

fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 145415916) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namefluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
PubChem CID145415916
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Namefluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESO=C(OF)[C@H]1CCCN1c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C12H12FN5O2/c13-20-11(19)9-2-1-6-18(9)10-3-4-15-12(16-10)17-7-5-14-8-17/h3-5,7-9H,1-2,6H2/t9-/m1/s1
InChIKeyNDGNKPZQLBSFMA-SECBINFHSA-N
XLogP1.06
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate (CID 145415916) is fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate is O=C(OF)[C@H]1CCCN1c1ccnc(-n2ccnc2)n1.
What is the InChIKey of fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is NDGNKPZQLBSFMA-SECBINFHSA-N. The full InChI is InChI=1S/C12H12FN5O2/c13-20-11(19)9-2-1-6-18(9)10-3-4-15-12(16-10)17-7-5-14-8-17/h3-5,7-9H,1-2,6H2/t9-/m1/s1.
What are the key properties of fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate?
fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 277.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 145415916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).