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

C13H18BrN5O2 — CID 60946563

IUPAC[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESO=C(C1CC(O)CN1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C13H18BrN5O2/c14-9-6-16-13(17-7-9)19-3-1-18(2-4-19)12(21)11-5-10(20)8-15-11/h6-7,10-11,15,20H,1-5,8H2
InChIKeyAXDBAMQLFZVTPH-UHFFFAOYSA-N
MW356.22 g/mol
LogP-0.39
Rot. Bonds2

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

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 60946563) has the molecular formula C13H18BrN5O2 and a molecular weight of 356.22 g/mol. Its IUPAC name is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID60946563
Molecular FormulaC13H18BrN5O2
Molecular Weight356.22 g/mol
Exact Mass355.06
IUPAC Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESO=C(C1CC(O)CN1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C13H18BrN5O2/c14-9-6-16-13(17-7-9)19-3-1-18(2-4-19)12(21)11-5-10(20)8-15-11/h6-7,10-11,15,20H,1-5,8H2
InChIKeyAXDBAMQLFZVTPH-UHFFFAOYSA-N
XLogP-0.39
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 103813525
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119886786
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 60947880
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 60948000
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
2-(azetidin-3-yl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
CID 64610567
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 56906672
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 125118026
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62311887

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (CID 60946563) is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is O=C(C1CC(O)CN1)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is AXDBAMQLFZVTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O2/c14-9-6-16-13(17-7-9)19-3-1-18(2-4-19)12(21)11-5-10(20)8-15-11/h6-7,10-11,15,20H,1-5,8H2.
What are the key properties of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 356.22 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 60946563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).