[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C13H18BrN5O — CID 103813525

IUPAC[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C13H18BrN5O/c14-10-8-16-13(17-9-10)19-6-4-18(5-7-19)12(20)11-2-1-3-15-11/h8-9,11,15H,1-7H2/t11-/m1/s1
InChIKeyLBWVVOGWQVWVHY-LLVKDONJSA-N
MW340.23 g/mol
LogP0.64
Rot. Bonds2

About [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 103813525) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID103813525
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C13H18BrN5O/c14-10-8-16-13(17-9-10)19-6-4-18(5-7-19)12(20)11-2-1-3-15-11/h8-9,11,15H,1-7H2/t11-/m1/s1
InChIKeyLBWVVOGWQVWVHY-LLVKDONJSA-N
XLogP0.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 60948000
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 60947880
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 60946563
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one
CID 119891429
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 68721294
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 103813525) is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is LBWVVOGWQVWVHY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18BrN5O/c14-10-8-16-13(17-9-10)19-6-4-18(5-7-19)12(20)11-2-1-3-15-11/h8-9,11,15H,1-7H2/t11-/m1/s1.
What are the key properties of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 340.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 103813525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).