[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

C13H18FN5O — CID 95721720

IUPAC[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CN(c2ncc(F)cn2)CCN1)N1CCCC1
InChIInChI=1S/C13H18FN5O/c14-10-7-16-13(17-8-10)19-6-3-15-11(9-19)12(20)18-4-1-2-5-18/h7-8,11,15H,1-6,9H2/t11-/m1/s1
InChIKeyGZCMJXOAWJZDOY-LLVKDONJSA-N
MW279.32 g/mol
LogP0.02
Rot. Bonds2

About [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95721720) has the molecular formula C13H18FN5O and a molecular weight of 279.32 g/mol. Its IUPAC name is [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID95721720
Molecular FormulaC13H18FN5O
Molecular Weight279.32 g/mol
Exact Mass279.15
IUPAC Name[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CN(c2ncc(F)cn2)CCN1)N1CCCC1
InChIInChI=1S/C13H18FN5O/c14-10-7-16-13(17-8-10)19-6-3-15-11(9-19)12(20)18-4-1-2-5-18/h7-8,11,15H,1-6,9H2/t11-/m1/s1
InChIKeyGZCMJXOAWJZDOY-LLVKDONJSA-N
XLogP0.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide
CID 56904879
(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 95554820
1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
CID 95716273
1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
CID 124997732
(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 155544111
[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110086724
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 103813525
fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 175026112
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 95721720) is [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1CN(c2ncc(F)cn2)CCN1)N1CCCC1.
What is the InChIKey of [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GZCMJXOAWJZDOY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FN5O/c14-10-7-16-13(17-8-10)19-6-3-15-11(9-19)12(20)18-4-1-2-5-18/h7-8,11,15H,1-6,9H2/t11-/m1/s1.
What are the key properties of [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 279.32 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95721720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).